*HEADER    MEMBRANE PROTEINS                       09-SEP-99   1QLO
*TITLE     STRUCTURE OF THE ACTIVE DOMAIN OF THE HERPES SIMPLEX VIRUS
*TITLE    2 PROTEIN ICP47 IN WATER/SODIUM DODECYL SULFATE SOLUTION
*TITLE    3 DETERMINED BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: HERPES SIMPLEX VIRUS PROTEIN ICP47;
*COMPND   3 SYNONYM: IMMEDIATE-EARLY PROTEIN IE12,
*COMPND   4 IMMEDIATE-EARLY-5, VMW12;
*COMPND   5 CHAIN: A;
*COMPND   6 FRAGMENT: ACTIVE DOMAIN;
*COMPND   7 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HERPES SIMPLEX VIRUS;
*SOURCE   3 STRAIN: TYPE 1 - STRAIN 17;
*SOURCE   4 EXPRESSION_SYSTEM: SF9 INSECT CELLS
*KEYWDS    MEMBRANE PROTEINS, HERPES SIMPLEX VIRUS, PROTEIN ICP47
*EXPDTA    NMR, 19 STRUCTURES
*AUTHOR    R.PFAENDER,L.NEUMANN,M.ZWECKSTETTER,C.SEGER,T.A.HOLAK,
*AUTHOR   2 R.TAMPE
*REVDAT   1   14-DEC-99 1QLO    0




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1 -15.211  12.206  14.837
    2    H2   MET   1           H2       MET   1 -14.916  11.393  16.297
    3    H3   MET   1           H3       MET   1 -13.879  11.159  14.971
    4    HA   MET   1           HA       MET   1 -15.265   9.254  15.119
    5   1HB   MET   1          1HB       MET   1 -17.848   9.995  14.654
    6   2HB   MET   1          2HB       MET   1 -17.201   9.657  16.258
    7   1HG   MET   1          1HG       MET   1 -16.811  11.989  16.685
    8   2HG   MET   1          2HG       MET   1 -17.137  12.413  15.005
    9   1HE   MET   1          1HE       MET   1 -19.067  13.218  14.179
   10   2HE   MET   1          2HE       MET   1 -19.652  11.575  13.884
   11   3HE   MET   1          3HE       MET   1 -20.722  12.781  14.594
   12    QB   MET   1           QB       MET   1 -17.524   9.826  15.456
   13    QG   MET   1           QG       MET   1 -16.974  12.201  15.845
   14    ME   MET   1           ME       MET   1 -19.813  12.525  14.219
   15    H    SER   2           H        SER   2 -17.104  11.699  13.281
   16    HA   SER   2           HA       SER   2 -17.481  11.855  10.968
   17   1HB   SER   2          1HB       SER   2 -14.638  10.811  10.828
   18   2HB   SER   2          2HB       SER   2 -15.496  11.675   9.555
   19    HG   SER   2           HG       SER   2 -14.099  13.006  10.859
   20    QB   SER   2           QB       SER   2 -15.067  11.243  10.192
   21    H    TRP   3           H        TRP   3 -16.963  10.361   8.818
   22    HA   TRP   3           HA       TRP   3 -18.088   7.711   9.567
   23   1HB   TRP   3          1HB       TRP   3 -18.627   9.545   7.490
   24   2HB   TRP   3          2HB       TRP   3 -17.868   8.152   6.719
   25    HD1  TRP   3           HD1      TRP   3 -20.389   8.446   9.650
   26    HE1  TRP   3           HE1      TRP   3 -22.345   6.831   9.184
   27    HE3  TRP   3           HE3      TRP   3 -18.931   6.574   5.128
   28    HZ2  TRP   3           HZ2      TRP   3 -23.180   4.988   7.160
   29    HZ3  TRP   3           HZ3      TRP   3 -20.323   4.893   3.955
   30    HH2  TRP   3           HH2      TRP   3 -22.443   4.098   4.964
   31    QB   TRP   3           QB       TRP   3 -18.247   8.848   7.105
   32    H    ALA   4           H        ALA   4 -15.437   7.734  10.243
   33    HA   ALA   4           HA       ALA   4 -13.371   6.700   9.808
   34   1HB   ALA   4          2HB       ALA   4 -14.069   4.865   7.766
   35   2HB   ALA   4          1HB       ALA   4 -15.485   5.013   8.807
   36   3HB   ALA   4          3HB       ALA   4 -13.930   4.542   9.494
   37    MB   ALA   4           MB       ALA   4 -14.494   4.807   8.689
   38    H    LEU   5           H        LEU   5 -14.119   9.048   8.167
   39    HA   LEU   5           HA       LEU   5 -13.383   8.590   5.425
   40   1HB   LEU   5          1HB       LEU   5 -13.200  11.127   7.079
   41   2HB   LEU   5          2HB       LEU   5 -13.112  11.042   5.319
   42    HG   LEU   5           HG       LEU   5 -15.458   9.716   6.564
   43   1HD1  LEU   5          1HD1      LEU   5 -14.945  12.028   7.736
   44   2HD1  LEU   5          2HD1      LEU   5 -15.577  12.695   6.231
   45   3HD1  LEU   5          3HD1      LEU   5 -16.587  11.642   7.221
   46   1HD2  LEU   5          1HD2      LEU   5 -15.078  11.606   4.217
   47   2HD2  LEU   5          2HD2      LEU   5 -15.121   9.845   4.119
   48   3HD2  LEU   5          3HD2      LEU   5 -16.564  10.737   4.601
   49    MD1  LEU   5           MD1      LEU   5 -15.703  12.122   7.063
   50    MD2  LEU   5           MD2      LEU   5 -15.587  10.729   4.313
   51    QB   LEU   5           QB       LEU   5 -13.156  11.084   6.199
   52    QD   LEU   5           QD       LEU   5 -15.645  11.425   5.688
   53    H    GLU   6           H        GLU   6 -11.498   9.925   8.172
   54    HA   GLU   6           HA       GLU   6  -9.052  10.307   6.882
   55   1HB   GLU   6          2HB       GLU   6  -9.608  10.763   9.331
   56   2HB   GLU   6          1HB       GLU   6  -7.996  10.118   9.021
   57   1HG   GLU   6          2HG       GLU   6  -9.981   8.004   9.378
   58   2HG   GLU   6          1HG       GLU   6  -9.871   9.057  10.787
   59    QB   GLU   6           QB       GLU   6  -8.802  10.440   9.176
   60    QG   GLU   6           QG       GLU   6  -9.926   8.530  10.083
   61    H    MET   7           H        MET   7 -10.606   7.292   7.742
   62    HA   MET   7           HA       MET   7  -8.186   5.710   7.210
   63   1HB   MET   7          1HB       MET   7 -11.002   5.126   8.045
   64   2HB   MET   7          2HB       MET   7 -10.071   3.833   7.289
   65   1HG   MET   7          1HG       MET   7  -8.333   5.056   9.150
   66   2HG   MET   7          2HG       MET   7  -9.878   4.864   9.979
   67   1HE   MET   7          1HE       MET   7  -7.006   3.714   8.327
   68   2HE   MET   7          2HE       MET   7  -6.568   2.640   9.653
   69   3HE   MET   7          3HE       MET   7  -7.057   1.960   8.103
   70    QB   MET   7           QB       MET   7 -10.536   4.479   7.667
   71    QG   MET   7           QG       MET   7  -9.105   4.960   9.565
   72    ME   MET   7           ME       MET   7  -6.877   2.771   8.695
   73    H    ALA   8           H        ALA   8 -11.253   6.486   5.603
   74    HA   ALA   8           HA       ALA   8 -11.008   4.748   3.378
   75   1HB   ALA   8          3HB       ALA   8 -13.079   5.816   3.495
   76   2HB   ALA   8          2HB       ALA   8 -12.296   6.717   2.197
   77   3HB   ALA   8          1HB       ALA   8 -12.361   7.393   3.824
   78    MB   ALA   8           MB       ALA   8 -12.578   6.642   3.172
   79    H    ASP   9           H        ASP   9  -9.576   7.945   3.964
   80    HA   ASP   9           HA       ASP   9  -8.549   8.368   1.336
   81   1HB   ASP   9          1HB       ASP   9  -7.554   9.287   4.048
   82   2HB   ASP   9          2HB       ASP   9  -6.875   9.849   2.520
   83    QB   ASP   9           QB       ASP   9  -7.214   9.568   3.284
   84    H    THR  10           H        THR  10  -6.842   7.122   4.236
   85    HA   THR  10           HA       THR  10  -4.473   6.350   2.864
   86    HB   THR  10           HB       THR  10  -5.696   5.046   5.316
   87    HG1  THR  10           HG1      THR  10  -5.463   7.180   5.752
   88   1HG2  THR  10          1HG2      THR  10  -3.024   4.943   3.971
   89   2HG2  THR  10          2HG2      THR  10  -3.085   4.858   5.731
   90   3HG2  THR  10          3HG2      THR  10  -3.930   3.653   4.761
   91    MG   THR  10           MG       THR  10  -3.346   4.485   4.821
   92    H    PHE  11           H        PHE  11  -7.625   4.963   2.868
   93    HA   PHE  11           HA       PHE  11  -6.810   2.255   2.173
   94   1HB   PHE  11          1HB       PHE  11  -9.077   3.070   3.167
   95   2HB   PHE  11          2HB       PHE  11  -9.489   3.458   1.497
   96    HD1  PHE  11           HD1      PHE  11  -7.939   0.648   3.456
   97    HD2  PHE  11           HD2      PHE  11 -10.536   1.811   0.238
   98    HE1  PHE  11           HE1      PHE  11  -8.478  -1.735   3.029
   99    HE2  PHE  11           HE2      PHE  11 -11.074  -0.572  -0.189
  100    HZ   PHE  11           HZ       PHE  11 -10.046  -2.345   1.207
  101    QB   PHE  11           QB       PHE  11  -9.283   3.264   2.332
  102    QD   PHE  11           QD       PHE  11  -9.237   1.229   1.847
  103    QE   PHE  11           QE       PHE  11  -9.776  -1.154   1.420
  104    QR   PHE  11           QR       PHE  11  -9.614  -0.439   1.549
  105    H    LEU  12           H        LEU  12  -8.396   4.848   0.268
  106    HA   LEU  12           HA       LEU  12  -8.048   3.603  -2.260
  107   1HB   LEU  12          1HB       LEU  12  -8.755   6.270  -1.257
  108   2HB   LEU  12          2HB       LEU  12  -7.892   6.318  -2.795
  109    HG   LEU  12           HG       LEU  12  -9.517   4.506  -3.594
  110   1HD1  LEU  12          1HD1      LEU  12 -10.303   4.662  -0.879
  111   2HD1  LEU  12          2HD1      LEU  12 -11.633   5.340  -1.818
  112   3HD1  LEU  12          3HD1      LEU  12 -11.056   3.709  -2.158
  113   1HD2  LEU  12          1HD2      LEU  12  -9.956   7.383  -3.176
  114   2HD2  LEU  12          2HD2      LEU  12 -10.175   6.415  -4.634
  115   3HD2  LEU  12          3HD2      LEU  12 -11.449   6.477  -3.416
  116    MD1  LEU  12           MD1      LEU  12 -10.997   4.570  -1.618
  117    MD2  LEU  12           MD2      LEU  12 -10.526   6.758  -3.742
  118    QB   LEU  12           QB       LEU  12  -8.323   6.294  -2.026
  119    QD   LEU  12           QD       LEU  12 -10.762   5.664  -2.680
  120    H    ASP  13           H        ASP  13  -5.849   5.397  -0.225
  121    HA   ASP  13           HA       ASP  13  -3.876   6.005  -2.230
  122   1HB   ASP  13          1HB       ASP  13  -4.160   6.306   0.610
  123   2HB   ASP  13          2HB       ASP  13  -2.597   5.557   0.279
  124    QB   ASP  13           QB       ASP  13  -3.378   5.931   0.445
  125    H    ASN  14           H        ASN  14  -4.208   3.308   0.089
  126    HA   ASN  14           HA       ASN  14  -2.163   1.822  -1.501
  127   1HB   ASN  14          1HB       ASN  14  -2.811   1.968   1.380
  128   2HB   ASN  14          2HB       ASN  14  -2.518   0.339   0.771
  129   2HD2  ASN  14          1HD2      ASN  14  -0.350  -0.257   0.737
  130   1HD2  ASN  14          2HD2      ASN  14   0.958   0.822   0.666
  131    QB   ASN  14           QB       ASN  14  -2.664   1.153   1.076
  132    QD   ASN  14           QD       ASN  14   0.304   0.282   0.702
  133    H    MET  15           H        MET  15  -4.933   2.078  -2.325
  134    HA   MET  15           HA       MET  15  -6.238  -0.463  -1.618
  135   1HB   MET  15          1HB       MET  15  -7.076   2.041  -2.671
  136   2HB   MET  15          2HB       MET  15  -7.442   0.821  -3.890
  137   1HG   MET  15          1HG       MET  15  -8.125   0.339  -0.997
  138   2HG   MET  15          2HG       MET  15  -9.206   1.276  -2.029
  139   1HE   MET  15          1HE       MET  15 -11.030   0.320  -2.262
  140   2HE   MET  15          2HE       MET  15 -10.860  -0.011  -3.992
  141   3HE   MET  15          3HE       MET  15 -11.471  -1.259  -2.908
  142    QB   MET  15           QB       MET  15  -7.259   1.431  -3.280
  143    QG   MET  15           QG       MET  15  -8.665   0.807  -1.513
  144    ME   MET  15           ME       MET  15 -11.120  -0.317  -3.054
  145    H    ARG  16           H        ARG  16  -3.814  -1.110  -2.685
  146    HA   ARG  16           HA       ARG  16  -4.190  -1.640  -5.574
  147   1HB   ARG  16          1HB       ARG  16  -1.975  -0.878  -4.435
  148   2HB   ARG  16          2HB       ARG  16  -1.842  -2.562  -3.926
  149   1HG   ARG  16          1HG       ARG  16  -2.028  -3.291  -6.276
  150   2HG   ARG  16          2HG       ARG  16  -2.159  -1.608  -6.788
  151   1HD   ARG  16          1HD       ARG  16   0.091  -1.335  -5.442
  152   2HD   ARG  16          2HD       ARG  16   0.220  -3.075  -5.696
  153    HE   ARG  16           HE       ARG  16  -0.382  -1.601  -8.142
  154   1HH1  ARG  16          1HH1      ARG  16   1.484  -4.040  -7.154
  155   2HH1  ARG  16          2HH1      ARG  16   2.985  -3.477  -7.810
  156   1HH2  ARG  16          1HH2      ARG  16   1.797  -0.290  -8.487
  157   2HH2  ARG  16          2HH2      ARG  16   3.162  -1.353  -8.564
  158    QB   ARG  16           QB       ARG  16  -1.908  -1.720  -4.180
  159    QG   ARG  16           QG       ARG  16  -2.093  -2.450  -6.532
  160    QD   ARG  16           QD       ARG  16   0.156  -2.205  -5.569
  161    QH1  ARG  16           QH1      ARG  16   2.235  -3.759  -7.482
  162    QH2  ARG  16           QH2      ARG  16   2.480  -0.822  -8.525
  163    H    VAL  17           H        VAL  17  -6.118  -3.025  -4.414
  164    HA   VAL  17           HA       VAL  17  -6.988  -5.194  -4.209
  165    HB   VAL  17           HB       VAL  17  -4.332  -6.309  -5.082
  166   1HG1  VAL  17          1HG1      VAL  17  -7.233  -7.043  -5.235
  167   2HG1  VAL  17          2HG1      VAL  17  -6.150  -7.624  -6.500
  168   3HG1  VAL  17          3HG1      VAL  17  -5.846  -8.048  -4.815
  169   1HG2  VAL  17          1HG2      VAL  17  -5.951  -4.329  -6.494
  170   2HG2  VAL  17          2HG2      VAL  17  -4.353  -4.957  -6.896
  171   3HG2  VAL  17          3HG2      VAL  17  -5.797  -5.829  -7.409
  172    MG1  VAL  17           MG1      VAL  17  -6.409  -7.572  -5.516
  173    MG2  VAL  17           MG2      VAL  17  -5.367  -5.038  -6.933
  174    QG   VAL  17           QG       VAL  17  -5.888  -6.305  -6.224
  175    H    GLY  18           H        GLY  18  -5.301  -3.860  -2.073
  176   1HA   GLY  18          1HA       GLY  18  -4.730  -4.450   0.132
  177   2HA   GLY  18          2HA       GLY  18  -5.294  -6.084  -0.220
  178    QA   GLY  18           QA       GLY  18  -5.012  -5.267  -0.044
  179   1HB   PRO  19          1HB       PRO  19  -0.185  -6.919   2.350
  180   2HB   PRO  19          2HB       PRO  19  -0.289  -5.183   2.011
  181   1HG   PRO  19          2HG       PRO  19  -2.069  -5.220   3.483
  182   2HG   PRO  19          1HG       PRO  19  -2.300  -6.967   3.300
  183   1HD   PRO  19          1HD       PRO  19  -4.060  -6.477   1.908
  184   2HD   PRO  19          2HD       PRO  19  -3.614  -4.758   1.855
  185    QB   PRO  19           QB       PRO  19  -0.237  -6.051   2.181
  186    QG   PRO  19           QG       PRO  19  -2.184  -6.094   3.392
  187    QD   PRO  19           QD       PRO  19  -3.837  -5.618   1.882
  188    H    ARG  20           H        ARG  20   0.826  -7.853  -0.066
  189    HA   ARG  20           HA       ARG  20  -0.743 -10.397  -0.093
  190   1HB   ARG  20          1HB       ARG  20   0.663  -9.139  -2.276
  191   2HB   ARG  20          2HB       ARG  20   1.432 -10.678  -1.885
  192   1HG   ARG  20          1HG       ARG  20  -0.877 -11.722  -1.905
  193   2HG   ARG  20          2HG       ARG  20  -1.481 -10.200  -2.560
  194   1HD   ARG  20          1HD       ARG  20  -0.872 -10.871  -4.617
  195   2HD   ARG  20          2HD       ARG  20   0.809 -10.905  -4.085
  196    HE   ARG  20           HE       ARG  20   0.659 -13.256  -3.982
  197   1HH1  ARG  20          1HH1      ARG  20  -1.294 -13.973  -2.124
  198   2HH1  ARG  20          2HH1      ARG  20  -2.664 -14.504  -3.041
  199   1HH2  ARG  20          1HH2      ARG  20  -1.613 -13.003  -5.984
  200   2HH2  ARG  20          2HH2      ARG  20  -2.844 -13.955  -5.225
  201    QB   ARG  20           QB       ARG  20   1.048  -9.909  -2.080
  202    QG   ARG  20           QG       ARG  20  -1.179 -10.961  -2.232
  203    QD   ARG  20           QD       ARG  20  -0.031 -10.888  -4.351
  204    QH1  ARG  20           QH1      ARG  20  -1.979 -14.239  -2.582
  205    QH2  ARG  20           QH2      ARG  20  -2.228 -13.479  -5.604
  206    H    THR  21           H        THR  21   2.584  -9.069  -0.037
  207    HA   THR  21           HA       THR  21   3.212 -10.670   2.324
  208    HB   THR  21           HB       THR  21   5.149 -11.274   0.192
  209    HG1  THR  21           HG1      THR  21   3.441 -13.051  -0.330
  210   1HG2  THR  21          1HG2      THR  21   3.951 -12.477   2.597
  211   2HG2  THR  21          2HG2      THR  21   4.282 -13.629   1.303
  212   3HG2  THR  21          3HG2      THR  21   5.585 -12.635   1.954
  213    MG   THR  21           MG       THR  21   4.606 -12.914   1.952
  214    H    TYR  22           H        TYR  22   5.552 -10.268   2.975
  215    HA   TYR  22           HA       TYR  22   6.201  -7.442   2.347
  216   1HB   TYR  22          1HB       TYR  22   7.093  -9.332   4.534
  217   2HB   TYR  22          2HB       TYR  22   7.795  -7.729   4.311
  218    HD1  TYR  22           HD1      TYR  22   5.731  -5.922   3.723
  219    HD2  TYR  22           HD2      TYR  22   5.525  -9.390   6.249
  220    HE1  TYR  22           HE1      TYR  22   3.825  -4.916   4.949
  221    HE2  TYR  22           HE2      TYR  22   3.619  -8.384   7.474
  222    HH   TYR  22           HH       TYR  22   2.529  -6.394   7.859
  223    QB   TYR  22           QB       TYR  22   7.444  -8.531   4.423
  224    QD   TYR  22           QD       TYR  22   5.628  -7.656   4.986
  225    QE   TYR  22           QE       TYR  22   3.722  -6.650   6.212
  226    QR   TYR  22           QR       TYR  22   4.675  -7.153   5.599
  227    H    ALA  23           H        ALA  23   7.664 -10.677   2.098
  228    HA   ALA  23           HA       ALA  23  10.292  -9.815   1.462
  229   1HB   ALA  23          1HB       ALA  23   8.756 -12.296   1.261
  230   2HB   ALA  23          3HB       ALA  23  10.447 -12.059   1.703
  231   3HB   ALA  23          2HB       ALA  23   9.981 -12.131   0.004
  232    MB   ALA  23           MB       ALA  23   9.728 -12.162   0.990
  233    H    ASP  24           H        ASP  24   7.480 -10.263  -0.528
  234    HA   ASP  24           HA       ASP  24   8.896  -9.765  -3.026
  235   1HB   ASP  24          1HB       ASP  24   6.217  -9.194  -3.550
  236   2HB   ASP  24          2HB       ASP  24   7.019 -10.739  -3.810
  237    QB   ASP  24           QB       ASP  24   6.618  -9.967  -3.680
  238    H    VAL  25           H        VAL  25   6.156  -7.862  -1.752
  239    HA   VAL  25           HA       VAL  25   6.642  -5.509  -3.118
  240    HB   VAL  25           HB       VAL  25   5.797  -5.711  -0.212
  241   1HG1  VAL  25          1HG1      VAL  25   5.915  -3.504  -2.208
  242   2HG1  VAL  25          2HG1      VAL  25   4.470  -3.588  -1.201
  243   3HG1  VAL  25          3HG1      VAL  25   6.060  -3.440  -0.452
  244   1HG2  VAL  25          1HG2      VAL  25   4.582  -6.772  -2.499
  245   2HG2  VAL  25          2HG2      VAL  25   3.801  -6.480  -0.945
  246   3HG2  VAL  25          3HG2      VAL  25   3.726  -5.257  -2.214
  247    MG1  VAL  25           MG1      VAL  25   5.482  -3.511  -1.287
  248    MG2  VAL  25           MG2      VAL  25   4.037  -6.170  -1.886
  249    QG   VAL  25           QG       VAL  25   4.759  -4.840  -1.586
  250    H    ARG  26           H        ARG  26   8.407  -6.734  -0.323
  251    HA   ARG  26           HA       ARG  26   9.861  -4.289   0.192
  252   1HB   ARG  26          1HB       ARG  26   9.652  -6.079   1.883
  253   2HB   ARG  26          2HB       ARG  26  10.609  -7.152   0.860
  254   1HG   ARG  26          1HG       ARG  26  12.577  -5.966   1.221
  255   2HG   ARG  26          2HG       ARG  26  11.725  -4.465   1.589
  256   1HD   ARG  26          1HD       ARG  26  10.876  -5.563   3.698
  257   2HD   ARG  26          2HD       ARG  26  11.951  -6.918   3.353
  258    HE   ARG  26           HE       ARG  26  12.786  -4.565   4.634
  259   1HH1  ARG  26          1HH1      ARG  26  13.778  -3.767   1.941
  260   2HH1  ARG  26          2HH1      ARG  26  15.359  -4.473   1.901
  261   1HH2  ARG  26          1HH2      ARG  26  14.753  -6.625   4.553
  262   2HH2  ARG  26          2HH2      ARG  26  15.912  -6.092   3.381
  263    QB   ARG  26           QB       ARG  26  10.131  -6.616   1.372
  264    QG   ARG  26           QG       ARG  26  12.151  -5.216   1.405
  265    QD   ARG  26           QD       ARG  26  11.414  -6.241   3.526
  266    QH1  ARG  26           QH1      ARG  26  14.569  -4.120   1.921
  267    QH2  ARG  26           QH2      ARG  26  15.333  -6.359   3.967
  268    H    ASP  27           H        ASP  27  10.732  -7.287  -1.585
  269    HA   ASP  27           HA       ASP  27  13.335  -6.408  -2.340
  270   1HB   ASP  27          2HB       ASP  27  12.581  -8.752  -2.593
  271   2HB   ASP  27          1HB       ASP  27  13.219  -8.113  -4.106
  272    QB   ASP  27           QB       ASP  27  12.900  -8.433  -3.349
  273    H    GLU  28           H        GLU  28  10.246  -5.338  -3.374
  274    HA   GLU  28           HA       GLU  28  10.959  -4.492  -6.033
  275   1HB   GLU  28          1HB       GLU  28   8.598  -4.679  -4.970
  276   2HB   GLU  28          2HB       GLU  28   8.928  -3.079  -4.304
  277   1HG   GLU  28          1HG       GLU  28   9.700  -2.808  -6.946
  278   2HG   GLU  28          2HG       GLU  28   8.282  -3.852  -7.059
  279    QB   GLU  28           QB       GLU  28   8.763  -3.879  -4.637
  280    QG   GLU  28           QG       GLU  28   8.991  -3.330  -7.002
  281    H    ILE  29           H        ILE  29  11.264  -3.008  -2.832
  282    HA   ILE  29           HA       ILE  29  12.138  -0.459  -3.949
  283    HB   ILE  29           HB       ILE  29  12.336  -1.567  -1.134
  284   1HG1  ILE  29          1HG1      ILE  29  10.564   0.690  -1.552
  285   2HG1  ILE  29          2HG1      ILE  29  10.134  -0.637  -2.632
  286   1HG2  ILE  29          1HG2      ILE  29  13.244   0.974  -2.393
  287   2HG2  ILE  29          2HG2      ILE  29  12.443   1.108  -0.828
  288   3HG2  ILE  29          3HG2      ILE  29  13.892   0.117  -0.995
  289   1HD1  ILE  29          1HD1      ILE  29  10.472  -2.091  -0.440
  290   2HD1  ILE  29          2HD1      ILE  29  10.140  -0.555   0.361
  291   3HD1  ILE  29          3HD1      ILE  29   8.949  -1.253  -0.737
  292    MG   ILE  29           MG       ILE  29  13.193   0.733  -1.405
  293    MD   ILE  29           MD       ILE  29   9.854  -1.300  -0.272
  294    QG   ILE  29           QG       ILE  29  10.349   0.026  -2.092
  295    H    ASN  30           H        ASN  30  13.603  -3.056  -4.550
  296    HA   ASN  30           HA       ASN  30  16.331  -2.186  -3.761
  297   1HB   ASN  30          1HB       ASN  30  15.329  -4.915  -4.633
  298   2HB   ASN  30          2HB       ASN  30  17.013  -4.527  -4.280
  299   2HD2  ASN  30          1HD2      ASN  30  16.424  -2.762  -1.995
  300   1HD2  ASN  30          2HD2      ASN  30  15.877  -3.761  -0.737
  301    QB   ASN  30           QB       ASN  30  16.171  -4.721  -4.456
  302    QD   ASN  30           QD       ASN  30  16.151  -3.262  -1.366
  303    H    LYS  31           H        LYS  31  14.803  -3.996  -6.458
  304    HA   LYS  31           HA       LYS  31  16.737  -2.922  -8.356
  305   1HB   LYS  31          1HB       LYS  31  14.177  -4.498  -8.783
  306   2HB   LYS  31          2HB       LYS  31  15.368  -4.141 -10.035
  307   1HG   LYS  31          1HG       LYS  31  16.338  -5.418  -7.513
  308   2HG   LYS  31          2HG       LYS  31  15.454  -6.425  -8.661
  309   1HD   LYS  31          1HD       LYS  31  17.258  -6.548  -9.998
  310   2HD   LYS  31          2HD       LYS  31  17.339  -4.788 -10.093
  311   1HE   LYS  31          2HE       LYS  31  18.254  -5.476  -7.509
  312   2HE   LYS  31          1HE       LYS  31  19.213  -4.855  -8.853
  313   1HZ   LYS  31          1HZ       LYS  31  18.554  -7.671  -8.996
  314   2HZ   LYS  31          2HZ       LYS  31  20.016  -6.880  -9.329
  315   3HZ   LYS  31          3HZ       LYS  31  19.594  -7.243  -7.723
  316    QB   LYS  31           QB       LYS  31  14.773  -4.320  -9.409
  317    QD   LYS  31           QD       LYS  31  17.299  -5.668 -10.045
  318    QG   LYS  31           QG       LYS  31  15.896  -5.922  -8.087
  319    QE   LYS  31           QE       LYS  31  18.734  -5.166  -8.181
  320    QZ   LYS  31           QZ       LYS  31  19.388  -7.265  -8.682
  321    H    ARG  32           H        ARG  32  13.631  -1.951  -7.138
  322    HA   ARG  32           HA       ARG  32  13.303  -0.044  -9.406
  323   1HB   ARG  32          1HB       ARG  32  11.395  -1.588  -8.568
  324   2HB   ARG  32          2HB       ARG  32  11.303  -0.488  -7.192
  325   1HG   ARG  32          1HG       ARG  32  10.154   1.001  -8.423
  326   2HG   ARG  32          2HG       ARG  32  11.457   1.056  -9.610
  327   1HD   ARG  32          2HD       ARG  32   9.398   0.339 -10.707
  328   2HD   ARG  32          1HD       ARG  32   9.190  -0.956  -9.528
  329    HE   ARG  32           HE       ARG  32  11.742  -1.278 -10.742
  330   1HH1  ARG  32          1HH1      ARG  32   8.393  -1.892 -11.052
  331   2HH1  ARG  32          2HH1      ARG  32   8.550  -2.837 -12.496
  332   1HH2  ARG  32          1HH2      ARG  32  11.959  -2.289 -12.802
  333   2HH2  ARG  32          2HH2      ARG  32  10.568  -3.060 -13.486
  334    QB   ARG  32           QB       ARG  32  11.349  -1.038  -7.880
  335    QG   ARG  32           QG       ARG  32  10.806   1.028  -9.016
  336    QD   ARG  32           QD       ARG  32   9.294  -0.309 -10.117
  337    QH1  ARG  32           QH1      ARG  32   8.472  -2.365 -11.774
  338    QH2  ARG  32           QH2      ARG  32  11.264  -2.675 -13.144
  339    H    GLY  33           H        GLY  33  15.390   0.567  -7.684
  340   1HA   GLY  33          1HA       GLY  33  14.538   2.313  -5.528
  341   2HA   GLY  33          2HA       GLY  33  16.175   2.200  -6.177
  342    QA   GLY  33           QA       GLY  33  15.357   2.256  -5.852
  343    H    ARG  34           H        ARG  34  16.512   4.442  -6.350
  344    HA   ARG  34           HA       ARG  34  14.606   5.985  -8.028
  345   1HB   ARG  34          1HB       ARG  34  15.546   6.835  -5.780
  346   2HB   ARG  34          2HB       ARG  34  17.061   7.078  -6.649
  347   1HG   ARG  34          1HG       ARG  34  14.544   8.149  -7.863
  348   2HG   ARG  34          2HG       ARG  34  15.256   9.020  -6.504
  349   1HD   ARG  34          1HD       ARG  34  17.394   9.178  -7.690
  350   2HD   ARG  34          2HD       ARG  34  16.738   8.243  -9.033
  351    HE   ARG  34           HE       ARG  34  15.128  10.588  -8.509
  352   1HH1  ARG  34          1HH1      ARG  34  18.262  11.087  -8.792
  353   2HH1  ARG  34          2HH1      ARG  34  18.293  11.636 -10.434
  354   1HH2  ARG  34          1HH2      ARG  34  15.061  10.588 -11.124
  355   2HH2  ARG  34          2HH2      ARG  34  16.480  11.354 -11.755
  356    QB   ARG  34           QB       ARG  34  16.304   6.956  -6.214
  357    QG   ARG  34           QG       ARG  34  14.900   8.584  -7.183
  358    QD   ARG  34           QD       ARG  34  17.066   8.710  -8.361
  359    QH1  ARG  34           QH1      ARG  34  18.278  11.361  -9.613
  360    QH2  ARG  34           QH2      ARG  34  15.771  10.971 -11.439

  No H/Q in entry =         360
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1 -17.751  17.416   4.386
    2    H2   MET   1           H2       MET   1 -16.699  17.786   3.107
    3    H3   MET   1           H3       MET   1 -16.921  16.170   3.581
    4    HA   MET   1           HA       MET   1 -14.843  16.845   4.451
    5   1HB   MET   1          1HB       MET   1 -16.413  19.304   5.100
    6   2HB   MET   1          2HB       MET   1 -15.091  18.863   6.181
    7   1HG   MET   1          1HG       MET   1 -13.938  20.142   4.629
    8   2HG   MET   1          2HG       MET   1 -13.775  18.544   3.899
    9   1HE   MET   1          1HE       MET   1 -13.666  18.475   1.771
   10   2HE   MET   1          2HE       MET   1 -15.266  17.749   1.661
   11   3HE   MET   1          3HE       MET   1 -14.795  19.034   0.541
   12    QB   MET   1           QB       MET   1 -15.752  19.084   5.641
   13    QG   MET   1           QG       MET   1 -13.856  19.343   4.264
   14    ME   MET   1           ME       MET   1 -14.576  18.419   1.324
   15    H    SER   2           H        SER   2 -17.743  15.788   5.394
   16    HA   SER   2           HA       SER   2 -16.738  15.087   8.116
   17   1HB   SER   2          1HB       SER   2 -18.872  15.459   9.097
   18   2HB   SER   2          2HB       SER   2 -18.581  16.876   8.092
   19    HG   SER   2           HG       SER   2 -20.484  14.933   7.886
   20    QB   SER   2           QB       SER   2 -18.726  16.168   8.595
   21    H    TRP   3           H        TRP   3 -16.187  12.971   7.604
   22    HA   TRP   3           HA       TRP   3 -18.244  11.001   7.502
   23   1HB   TRP   3          1HB       TRP   3 -18.121  12.144   5.075
   24   2HB   TRP   3          2HB       TRP   3 -16.819  10.971   4.881
   25    HD1  TRP   3           HD1      TRP   3 -17.663   8.818   3.853
   26    HE1  TRP   3           HE1      TRP   3 -19.822   7.416   3.993
   27    HE3  TRP   3           HE3      TRP   3 -20.389  11.710   7.060
   28    HZ2  TRP   3           HZ2      TRP   3 -22.368   7.509   5.292
   29    HZ3  TRP   3           HZ3      TRP   3 -22.676  11.031   7.731
   30    HH2  TRP   3           HH2      TRP   3 -23.668   8.936   6.851
   31    QB   TRP   3           QB       TRP   3 -17.470  11.558   4.978
   32    H    ALA   4           H        ALA   4 -16.621   9.166   5.792
   33    HA   ALA   4           HA       ALA   4 -14.455   8.681   7.786
   34   1HB   ALA   4          2HB       ALA   4 -14.704   6.502   5.974
   35   2HB   ALA   4          1HB       ALA   4 -16.337   6.983   6.433
   36   3HB   ALA   4          3HB       ALA   4 -15.163   6.548   7.676
   37    MB   ALA   4           MB       ALA   4 -15.401   6.678   6.694
   38    H    LEU   5           H        LEU   5 -14.193  10.664   5.620
   39    HA   LEU   5           HA       LEU   5 -12.629   9.531   3.475
   40   1HB   LEU   5          1HB       LEU   5 -13.695  11.696   3.184
   41   2HB   LEU   5          2HB       LEU   5 -12.806  12.359   4.557
   42    HG   LEU   5           HG       LEU   5 -10.836  11.270   2.879
   43   1HD1  LEU   5          1HD1      LEU   5 -13.111  11.706   1.314
   44   2HD1  LEU   5          2HD1      LEU   5 -12.118  13.139   1.048
   45   3HD1  LEU   5          3HD1      LEU   5 -11.458  11.535   0.726
   46   1HD2  LEU   5          1HD2      LEU   5 -11.507  13.710   4.139
   47   2HD2  LEU   5          2HD2      LEU   5  -9.969  13.291   3.385
   48   3HD2  LEU   5          3HD2      LEU   5 -11.219  14.107   2.445
   49    MD1  LEU   5           MD1      LEU   5 -12.229  12.127   1.029
   50    MD2  LEU   5           MD2      LEU   5 -10.898  13.702   3.323
   51    QB   LEU   5           QB       LEU   5 -13.251  12.028   3.871
   52    QD   LEU   5           QD       LEU   5 -11.564  12.914   2.176
   53    H    GLU   6           H        GLU   6 -11.886  10.643   6.715
   54    HA   GLU   6           HA       GLU   6  -9.066  10.990   6.404
   55   1HB   GLU   6          1HB       GLU   6 -10.729  10.183   8.806
   56   2HB   GLU   6          2HB       GLU   6  -9.007  10.558   8.891
   57   1HG   GLU   6          1HG       GLU   6 -10.809  12.527   7.541
   58   2HG   GLU   6          2HG       GLU   6 -10.844  12.442   9.302
   59    QB   GLU   6           QB       GLU   6  -9.868  10.371   8.848
   60    QG   GLU   6           QG       GLU   6 -10.826  12.484   8.422
   61    H    MET   7           H        MET   7 -10.815   8.167   7.772
   62    HA   MET   7           HA       MET   7  -8.475   6.488   7.735
   63   1HB   MET   7          1HB       MET   7 -10.261   5.915   9.237
   64   2HB   MET   7          2HB       MET   7 -11.432   5.866   7.918
   65   1HG   MET   7          1HG       MET   7 -10.424   3.903   6.978
   66   2HG   MET   7          2HG       MET   7  -9.022   4.037   8.041
   67   1HE   MET   7          1HE       MET   7 -12.512   3.117   7.404
   68   2HE   MET   7          2HE       MET   7 -13.204   2.479   8.894
   69   3HE   MET   7          3HE       MET   7 -13.032   4.226   8.670
   70    QB   MET   7           QB       MET   7 -10.846   5.890   8.577
   71    QG   MET   7           QG       MET   7  -9.723   3.970   7.510
   72    ME   MET   7           ME       MET   7 -12.916   3.274   8.323
   73    H    ALA   8           H        ALA   8 -11.322   6.664   5.580
   74    HA   ALA   8           HA       ALA   8 -10.675   4.630   3.779
   75   1HB   ALA   8          3HB       ALA   8 -12.731   5.689   3.376
   76   2HB   ALA   8          2HB       ALA   8 -11.740   6.249   2.029
   77   3HB   ALA   8          1HB       ALA   8 -12.017   7.301   3.418
   78    MB   ALA   8           MB       ALA   8 -12.163   6.413   2.941
   79    H    ASP   9           H        ASP   9  -9.264   7.857   4.037
   80    HA   ASP   9           HA       ASP   9  -7.903   8.050   1.597
   81   1HB   ASP   9          1HB       ASP   9  -7.596   9.162   4.282
   82   2HB   ASP   9          2HB       ASP   9  -6.048   8.971   3.457
   83    QB   ASP   9           QB       ASP   9  -6.822   9.066   3.869
   84    H    THR  10           H        THR  10  -6.845   6.343   4.550
   85    HA   THR  10           HA       THR  10  -4.344   5.449   3.474
   86    HB   THR  10           HB       THR  10  -6.106   4.374   5.689
   87    HG1  THR  10           HG1      THR  10  -3.968   6.135   5.432
   88   1HG2  THR  10          1HG2      THR  10  -3.800   3.168   4.364
   89   2HG2  THR  10          2HG2      THR  10  -3.528   3.415   6.089
   90   3HG2  THR  10          3HG2      THR  10  -4.910   2.466   5.540
   91    MG   THR  10           MG       THR  10  -4.079   3.016   5.331
   92    H    PHE  11           H        PHE  11  -7.593   4.006   3.471
   93    HA   PHE  11           HA       PHE  11  -6.745   1.505   2.299
   94   1HB   PHE  11          1HB       PHE  11  -9.339   2.871   2.824
   95   2HB   PHE  11          2HB       PHE  11  -9.334   1.615   1.588
   96    HD1  PHE  11           HD1      PHE  11  -7.945   2.211   5.028
   97    HD2  PHE  11           HD2      PHE  11  -9.718  -0.574   2.280
   98    HE1  PHE  11           HE1      PHE  11  -7.951   0.471   6.796
   99    HE2  PHE  11           HE2      PHE  11  -9.724  -2.314   4.047
  100    HZ   PHE  11           HZ       PHE  11  -8.841  -1.791   6.305
  101    QB   PHE  11           QB       PHE  11  -9.336   2.243   2.206
  102    QD   PHE  11           QD       PHE  11  -8.831   0.818   3.654
  103    QE   PHE  11           QE       PHE  11  -8.838  -0.922   5.421
  104    QR   PHE  11           QR       PHE  11  -8.836  -0.400   4.891
  105    H    LEU  12           H        LEU  12  -8.909   3.878   0.748
  106    HA   LEU  12           HA       LEU  12  -8.614   3.126  -1.884
  107   1HB   LEU  12          1HB       LEU  12  -9.814   5.220  -0.700
  108   2HB   LEU  12          2HB       LEU  12  -8.427   6.059  -1.395
  109    HG   LEU  12           HG       LEU  12  -9.013   4.830  -3.587
  110   1HD1  LEU  12          1HD1      LEU  12 -11.073   3.848  -1.807
  111   2HD1  LEU  12          2HD1      LEU  12 -11.800   4.708  -3.164
  112   3HD1  LEU  12          3HD1      LEU  12 -10.710   3.353  -3.460
  113   1HD2  LEU  12          1HD2      LEU  12  -9.572   7.299  -2.741
  114   2HD2  LEU  12          2HD2      LEU  12 -10.214   6.691  -4.268
  115   3HD2  LEU  12          3HD2      LEU  12 -11.227   6.694  -2.824
  116    MD1  LEU  12           MD1      LEU  12 -11.195   3.970  -2.810
  117    MD2  LEU  12           MD2      LEU  12 -10.338   6.895  -3.278
  118    QB   LEU  12           QB       LEU  12  -9.120   5.639  -1.047
  119    QD   LEU  12           QD       LEU  12 -10.766   5.432  -3.044
  120    H    ASP  13           H        ASP  13  -6.371   5.251  -0.094
  121    HA   ASP  13           HA       ASP  13  -4.617   5.815  -2.254
  122   1HB   ASP  13          1HB       ASP  13  -4.573   6.928  -0.005
  123   2HB   ASP  13          2HB       ASP  13  -3.842   5.466   0.656
  124    QB   ASP  13           QB       ASP  13  -4.208   6.197   0.325
  125    H    ASN  14           H        ASN  14  -4.122   3.367   0.325
  126    HA   ASN  14           HA       ASN  14  -1.885   2.089  -0.727
  127   1HB   ASN  14          1HB       ASN  14  -4.110   1.308   1.039
  128   2HB   ASN  14          2HB       ASN  14  -3.350  -0.047   0.204
  129   2HD2  ASN  14          1HD2      ASN  14  -2.714  -0.409   2.671
  130   1HD2  ASN  14          2HD2      ASN  14  -1.232   0.270   3.146
  131    QB   ASN  14           QB       ASN  14  -3.730   0.631   0.621
  132    QD   ASN  14           QD       ASN  14  -1.973  -0.070   2.909
  133    H    MET  15           H        MET  15  -5.175   1.990  -1.903
  134    HA   MET  15           HA       MET  15  -4.327  -0.015  -3.955
  135   1HB   MET  15          2HB       MET  15  -6.612  -0.679  -4.163
  136   2HB   MET  15          1HB       MET  15  -7.177   0.724  -3.258
  137   1HG   MET  15          2HG       MET  15  -7.201  -1.325  -1.866
  138   2HG   MET  15          1HG       MET  15  -6.071  -0.130  -1.231
  139   1HE   MET  15          1HE       MET  15  -6.289  -3.330  -0.734
  140   2HE   MET  15          2HE       MET  15  -4.575  -3.732  -0.569
  141   3HE   MET  15          3HE       MET  15  -5.215  -2.268   0.173
  142    QB   MET  15           QB       MET  15  -6.894   0.022  -3.711
  143    QG   MET  15           QG       MET  15  -6.636  -0.728  -1.548
  144    ME   MET  15           ME       MET  15  -5.360  -3.110  -0.377
  145    H    ARG  16           H        ARG  16  -3.405   2.416  -4.555
  146    HA   ARG  16           HA       ARG  16  -5.310   4.102  -5.942
  147   1HB   ARG  16          1HB       ARG  16  -3.149   5.076  -6.954
  148   2HB   ARG  16          2HB       ARG  16  -3.329   5.189  -5.204
  149   1HG   ARG  16          1HG       ARG  16  -1.703   3.611  -4.792
  150   2HG   ARG  16          2HG       ARG  16  -2.027   2.734  -6.287
  151   1HD   ARG  16          1HD       ARG  16  -1.114   5.371  -6.952
  152   2HD   ARG  16          2HD       ARG  16   0.016   4.654  -5.802
  153    HE   ARG  16           HE       ARG  16  -0.148   2.617  -7.495
  154   1HH1  ARG  16          1HH1      ARG  16  -0.903   2.990  -9.904
  155   2HH1  ARG  16          2HH1      ARG  16   0.105   4.141 -10.716
  156   1HH2  ARG  16          1HH2      ARG  16   1.467   5.408  -7.789
  157   2HH2  ARG  16          2HH2      ARG  16   1.446   5.511  -9.519
  158    QB   ARG  16           QB       ARG  16  -3.239   5.133  -6.079
  159    QG   ARG  16           QG       ARG  16  -1.865   3.172  -5.540
  160    QD   ARG  16           QD       ARG  16  -0.549   5.012  -6.377
  161    QH1  ARG  16           QH1      ARG  16  -0.399   3.566 -10.310
  162    QH2  ARG  16           QH2      ARG  16   1.456   5.459  -8.654
  163    H    VAL  17           H        VAL  17  -3.932   1.123  -6.678
  164    HA   VAL  17           HA       VAL  17  -5.006   1.219  -9.400
  165    HB   VAL  17           HB       VAL  17  -2.652   2.174  -9.558
  166   1HG1  VAL  17          1HG1      VAL  17  -2.010   0.159  -7.830
  167   2HG1  VAL  17          2HG1      VAL  17  -1.534  -0.559  -9.370
  168   3HG1  VAL  17          3HG1      VAL  17  -0.839   0.981  -8.861
  169   1HG2  VAL  17          1HG2      VAL  17  -3.962   0.139 -11.119
  170   2HG2  VAL  17          2HG2      VAL  17  -2.905   1.438 -11.673
  171   3HG2  VAL  17          3HG2      VAL  17  -2.218  -0.111 -11.189
  172    MG1  VAL  17           MG1      VAL  17  -1.461   0.194  -8.687
  173    MG2  VAL  17           MG2      VAL  17  -3.028   0.489 -11.327
  174    QG   VAL  17           QG       VAL  17  -2.245   0.341 -10.007
  175    H    GLY  18           H        GLY  18  -5.864  -0.312  -7.304
  176   1HA   GLY  18          1HA       GLY  18  -4.594  -2.855  -7.018
  177   2HA   GLY  18          2HA       GLY  18  -6.290  -2.526  -6.671
  178    QA   GLY  18           QA       GLY  18  -5.442  -2.691  -6.845
  179   1HB   PRO  19          1HB       PRO  19  -8.972  -2.437 -11.830
  180   2HB   PRO  19          2HB       PRO  19  -9.567  -3.264 -10.380
  181   1HG   PRO  19          2HG       PRO  19  -9.685  -1.144  -9.473
  182   2HG   PRO  19          1HG       PRO  19  -8.559  -0.475 -10.665
  183   1HD   PRO  19          1HD       PRO  19  -6.943  -0.575  -9.046
  184   2HD   PRO  19          2HD       PRO  19  -7.996  -1.515  -7.967
  185    QB   PRO  19           QB       PRO  19  -9.269  -2.851 -11.105
  186    QG   PRO  19           QG       PRO  19  -9.122  -0.810 -10.069
  187    QD   PRO  19           QD       PRO  19  -7.470  -1.045  -8.507
  188    H    ARG  20           H        ARG  20  -5.536  -4.700 -11.546
  189    HA   ARG  20           HA       ARG  20  -5.173  -3.130 -14.007
  190   1HB   ARG  20          1HB       ARG  20  -3.762  -1.842 -12.517
  191   2HB   ARG  20          2HB       ARG  20  -3.027  -3.310 -11.870
  192   1HG   ARG  20          1HG       ARG  20  -2.052  -3.821 -14.057
  193   2HG   ARG  20          2HG       ARG  20  -2.836  -2.405 -14.758
  194   1HD   ARG  20          1HD       ARG  20  -1.517  -1.328 -12.588
  195   2HD   ARG  20          2HD       ARG  20  -0.393  -2.575 -13.132
  196    HE   ARG  20           HE       ARG  20  -0.834  -1.412 -15.477
  197   1HH1  ARG  20          1HH1      ARG  20  -2.059   0.694 -13.370
  198   2HH1  ARG  20          2HH1      ARG  20  -0.842   1.918 -13.512
  199   1HH2  ARG  20          1HH2      ARG  20   1.378  -0.117 -15.234
  200   2HH2  ARG  20          2HH2      ARG  20   1.105   1.458 -14.566
  201    QB   ARG  20           QB       ARG  20  -3.394  -2.576 -12.193
  202    QG   ARG  20           QG       ARG  20  -2.444  -3.113 -14.408
  203    QD   ARG  20           QD       ARG  20  -0.955  -1.951 -12.860
  204    QH1  ARG  20           QH1      ARG  20  -1.450   1.306 -13.441
  205    QH2  ARG  20           QH2      ARG  20   1.242   0.671 -14.900
  206    H    THR  21           H        THR  21  -2.760  -5.135 -12.369
  207    HA   THR  21           HA       THR  21  -2.930  -7.057 -14.618
  208    HB   THR  21           HB       THR  21  -0.975  -7.826 -12.675
  209    HG1  THR  21           HG1      THR  21  -0.022  -5.454 -13.370
  210   1HG2  THR  21          1HG2      THR  21  -0.968  -6.688 -15.465
  211   2HG2  THR  21          2HG2      THR  21   0.543  -7.023 -14.621
  212   3HG2  THR  21          3HG2      THR  21  -0.593  -8.331 -14.945
  213    MG   THR  21           MG       THR  21  -0.339  -7.347 -15.010
  214    H    TYR  22           H        TYR  22  -3.755  -9.116 -14.354
  215    HA   TYR  22           HA       TYR  22  -3.851 -10.739 -12.123
  216   1HB   TYR  22          1HB       TYR  22  -5.552  -8.430 -11.732
  217   2HB   TYR  22          2HB       TYR  22  -6.519  -9.905 -11.732
  218    HD1  TYR  22           HD1      TYR  22  -5.229 -11.956 -10.460
  219    HD2  TYR  22           HD2      TYR  22  -4.741  -7.765  -9.654
  220    HE1  TYR  22           HE1      TYR  22  -4.430 -12.488  -8.175
  221    HE2  TYR  22           HE2      TYR  22  -3.938  -8.298  -7.369
  222    HH   TYR  22           HH       TYR  22  -4.204 -11.462  -6.021
  223    QB   TYR  22           QB       TYR  22  -6.035  -9.168 -11.732
  224    QD   TYR  22           QD       TYR  22  -4.985  -9.860 -10.057
  225    QE   TYR  22           QE       TYR  22  -4.184 -10.393  -7.772
  226    QR   TYR  22           QR       TYR  22  -4.585 -10.127  -8.914
  227    H    ALA  23           H        ALA  23  -5.994  -9.453 -14.683
  228    HA   ALA  23           HA       ALA  23  -7.579 -11.786 -14.992
  229   1HB   ALA  23          2HB       ALA  23  -7.189 -10.698 -17.560
  230   2HB   ALA  23          1HB       ALA  23  -7.123  -9.339 -16.438
  231   3HB   ALA  23          3HB       ALA  23  -8.540 -10.391 -16.468
  232    MB   ALA  23           MB       ALA  23  -7.617 -10.143 -16.822
  233    H    ASP  24           H        ASP  24  -5.326 -10.880 -17.478
  234    HA   ASP  24           HA       ASP  24  -4.862 -13.358 -18.606
  235   1HB   ASP  24          2HB       ASP  24  -2.893 -12.476 -19.580
  236   2HB   ASP  24          1HB       ASP  24  -2.570 -11.438 -18.190
  237    QB   ASP  24           QB       ASP  24  -2.732 -11.957 -18.885
  238    H    VAL  25           H        VAL  25  -2.619 -11.940 -16.185
  239    HA   VAL  25           HA       VAL  25  -1.008 -14.138 -15.727
  240    HB   VAL  25           HB       VAL  25  -0.901 -13.331 -13.300
  241   1HG1  VAL  25          1HG1      VAL  25   0.514 -12.498 -15.244
  242   2HG1  VAL  25          2HG1      VAL  25  -0.616 -11.152 -15.383
  243   3HG1  VAL  25          3HG1      VAL  25   0.329 -11.362 -13.908
  244   1HG2  VAL  25          1HG2      VAL  25  -3.268 -11.921 -14.293
  245   2HG2  VAL  25          2HG2      VAL  25  -2.738 -12.186 -12.632
  246   3HG2  VAL  25          3HG2      VAL  25  -2.089 -10.833 -13.560
  247    MG1  VAL  25           MG1      VAL  25   0.076 -11.671 -14.845
  248    MG2  VAL  25           MG2      VAL  25  -2.699 -11.647 -13.495
  249    QG   VAL  25           QG       VAL  25  -1.312 -11.659 -14.170
  250    H    ARG  26           H        ARG  26  -4.205 -13.574 -14.284
  251    HA   ARG  26           HA       ARG  26  -4.208 -15.939 -12.650
  252   1HB   ARG  26          1HB       ARG  26  -6.282 -14.066 -13.744
  253   2HB   ARG  26          2HB       ARG  26  -6.839 -15.634 -13.163
  254   1HG   ARG  26          1HG       ARG  26  -5.830 -15.257 -10.991
  255   2HG   ARG  26          2HG       ARG  26  -5.067 -13.772 -11.555
  256   1HD   ARG  26          1HD       ARG  26  -6.913 -12.596 -11.040
  257   2HD   ARG  26          2HD       ARG  26  -7.889 -13.631 -12.085
  258    HE   ARG  26           HE       ARG  26  -7.884 -15.217 -10.004
  259   1HH1  ARG  26          1HH1      ARG  26  -6.618 -13.720  -7.962
  260   2HH1  ARG  26          2HH1      ARG  26  -7.864 -12.723  -7.287
  261   1HH2  ARG  26          1HH2      ARG  26  -9.996 -13.095  -9.996
  262   2HH2  ARG  26          2HH2      ARG  26  -9.776 -12.369  -8.440
  263    QB   ARG  26           QB       ARG  26  -6.561 -14.850 -13.453
  264    QG   ARG  26           QG       ARG  26  -5.449 -14.515 -11.273
  265    QD   ARG  26           QD       ARG  26  -7.401 -13.114 -11.562
  266    QH1  ARG  26           QH1      ARG  26  -7.241 -13.221  -7.625
  267    QH2  ARG  26           QH2      ARG  26  -9.886 -12.732  -9.218
  268    H    ASP  27           H        ASP  27  -5.895 -15.545 -15.852
  269    HA   ASP  27           HA       ASP  27  -6.593 -18.229 -16.270
  270   1HB   ASP  27          1HB       ASP  27  -5.235 -16.424 -18.330
  271   2HB   ASP  27          2HB       ASP  27  -6.187 -17.864 -18.691
  272    QB   ASP  27           QB       ASP  27  -5.711 -17.144 -18.510
  273    H    GLU  28           H        GLU  28  -3.361 -16.920 -16.050
  274    HA   GLU  28           HA       GLU  28  -2.003 -19.185 -17.061
  275   1HB   GLU  28          2HB       GLU  28  -0.029 -18.292 -16.084
  276   2HB   GLU  28          1HB       GLU  28  -0.949 -17.445 -14.845
  277   1HG   GLU  28          1HG       GLU  28  -1.194 -16.804 -17.796
  278   2HG   GLU  28          2HG       GLU  28  -1.760 -15.837 -16.435
  279    QB   GLU  28           QB       GLU  28  -0.489 -17.869 -15.465
  280    QG   GLU  28           QG       GLU  28  -1.477 -16.321 -17.116
  281    H    ILE  29           H        ILE  29  -3.252 -20.809 -16.257
  282    HA   ILE  29           HA       ILE  29  -3.436 -22.658 -14.686
  283    HB   ILE  29           HB       ILE  29  -2.917 -20.517 -12.572
  284   1HG1  ILE  29          1HG1      ILE  29  -0.862 -20.830 -13.859
  285   2HG1  ILE  29          2HG1      ILE  29  -0.684 -21.718 -12.347
  286   1HG2  ILE  29          1HG2      ILE  29  -3.311 -23.527 -12.572
  287   2HG2  ILE  29          2HG2      ILE  29  -2.421 -22.742 -11.270
  288   3HG2  ILE  29          3HG2      ILE  29  -4.104 -22.311 -11.573
  289   1HD1  ILE  29          1HD1      ILE  29  -1.598 -22.964 -14.952
  290   2HD1  ILE  29          2HD1      ILE  29   0.058 -23.024 -14.351
  291   3HD1  ILE  29          3HD1      ILE  29  -1.236 -23.809 -13.448
  292    MG   ILE  29           MG       ILE  29  -3.279 -22.860 -11.805
  293    MD   ILE  29           MD       ILE  29  -0.925 -23.265 -14.250
  294    QG   ILE  29           QG       ILE  29  -0.773 -21.274 -13.103
  295    H    ASN  30           H        ASN  30  -5.570 -21.346 -15.896
  296    HA   ASN  30           HA       ASN  30  -7.594 -20.223 -15.592
  297   1HB   ASN  30          1HB       ASN  30  -9.114 -21.687 -14.273
  298   2HB   ASN  30          2HB       ASN  30  -8.217 -22.491 -15.560
  299   2HD2  ASN  30          1HD2      ASN  30  -7.600 -24.536 -14.815
  300   1HD2  ASN  30          2HD2      ASN  30  -6.969 -24.860 -13.273
  301    QB   ASN  30           QB       ASN  30  -8.666 -22.089 -14.917
  302    QD   ASN  30           QD       ASN  30  -7.285 -24.698 -14.044
  303    H    LYS  31           H        LYS  31  -5.616 -19.093 -14.032
  304    HA   LYS  31           HA       LYS  31  -6.052 -17.150 -12.580
  305   1HB   LYS  31          1HB       LYS  31  -7.824 -19.025 -11.020
  306   2HB   LYS  31          2HB       LYS  31  -7.477 -17.352 -10.597
  307   1HG   LYS  31          1HG       LYS  31  -8.329 -17.518 -13.358
  308   2HG   LYS  31          2HG       LYS  31  -9.526 -18.268 -12.304
  309   1HD   LYS  31          1HD       LYS  31  -9.555 -16.242 -10.891
  310   2HD   LYS  31          2HD       LYS  31  -8.365 -15.491 -11.954
  311   1HE   LYS  31          2HE       LYS  31 -10.326 -16.343 -13.717
  312   2HE   LYS  31          1HE       LYS  31 -10.128 -14.694 -13.125
  313   1HZ   LYS  31          1HZ       LYS  31 -11.729 -16.773 -11.738
  314   2HZ   LYS  31          2HZ       LYS  31 -11.645 -15.118 -11.358
  315   3HZ   LYS  31          3HZ       LYS  31 -12.386 -15.625 -12.800
  316    QB   LYS  31           QB       LYS  31  -7.651 -18.189 -10.808
  317    QD   LYS  31           QD       LYS  31  -8.960 -15.867 -11.422
  318    QG   LYS  31           QG       LYS  31  -8.927 -17.893 -12.831
  319    QE   LYS  31           QE       LYS  31 -10.227 -15.519 -13.421
  320    QZ   LYS  31           QZ       LYS  31 -11.920 -15.839 -11.965
  321    H    ARG  32           H        ARG  32  -3.702 -18.573 -12.616
  322    HA   ARG  32           HA       ARG  32  -2.904 -18.304  -9.852
  323   1HB   ARG  32          1HB       ARG  32  -3.869 -20.808 -10.506
  324   2HB   ARG  32          2HB       ARG  32  -2.136 -20.985 -10.769
  325   1HG   ARG  32          1HG       ARG  32  -1.782 -19.936  -8.492
  326   2HG   ARG  32          2HG       ARG  32  -3.521 -20.075  -8.241
  327   1HD   ARG  32          1HD       ARG  32  -3.391 -22.508  -8.584
  328   2HD   ARG  32          2HD       ARG  32  -1.655 -22.383  -8.863
  329    HE   ARG  32           HE       ARG  32  -1.626 -22.692  -6.507
  330   1HH1  ARG  32          1HH1      ARG  32  -4.675 -22.046  -6.369
  331   2HH1  ARG  32          2HH1      ARG  32  -4.646 -20.709  -5.267
  332   1HH2  ARG  32          1HH2      ARG  32  -1.228 -20.199  -5.566
  333   2HH2  ARG  32          2HH2      ARG  32  -2.693 -19.664  -4.812
  334    QB   ARG  32           QB       ARG  32  -3.003 -20.896 -10.638
  335    QG   ARG  32           QG       ARG  32  -2.652 -20.005  -8.366
  336    QD   ARG  32           QD       ARG  32  -2.523 -22.445  -8.723
  337    QH1  ARG  32           QH1      ARG  32  -4.660 -21.378  -5.818
  338    QH2  ARG  32           QH2      ARG  32  -1.961 -19.931  -5.189
  339    H    GLY  33           H        GLY  33  -0.596 -20.139 -10.459
  340   1HA   GLY  33          1HA       GLY  33   1.618 -19.690 -11.159
  341   2HA   GLY  33          2HA       GLY  33   0.843 -19.667 -12.743
  342    QA   GLY  33           QA       GLY  33   1.230 -19.679 -11.951
  343    H    ARG  34           H        ARG  34   1.604 -17.571  -9.959
  344    HA   ARG  34           HA       ARG  34   0.921 -15.102 -11.201
  345   1HB   ARG  34          1HB       ARG  34   2.481 -14.080  -9.551
  346   2HB   ARG  34          2HB       ARG  34   1.389 -15.246  -8.803
  347   1HG   ARG  34          2HG       ARG  34   3.337 -16.949  -9.334
  348   2HG   ARG  34          1HG       ARG  34   3.427 -15.917  -7.906
  349   1HD   ARG  34          1HD       ARG  34   4.860 -15.618 -10.542
  350   2HD   ARG  34          2HD       ARG  34   4.635 -14.232  -9.475
  351    HE   ARG  34           HE       ARG  34   6.442 -15.106  -8.258
  352   1HH1  ARG  34          1HH1      ARG  34   4.508 -17.320  -7.316
  353   2HH1  ARG  34          2HH1      ARG  34   5.456 -18.730  -7.651
  354   1HH2  ARG  34          1HH2      ARG  34   7.703 -17.059  -9.697
  355   2HH2  ARG  34          2HH2      ARG  34   7.265 -18.582  -8.997
  356    QB   ARG  34           QB       ARG  34   1.935 -14.663  -9.177
  357    QG   ARG  34           QG       ARG  34   3.382 -16.433  -8.620
  358    QD   ARG  34           QD       ARG  34   4.748 -14.925 -10.009
  359    QH1  ARG  34           QH1      ARG  34   4.982 -18.025  -7.484
  360    QH2  ARG  34           QH2      ARG  34   7.484 -17.821  -9.347

  No H/Q in entry =         360
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1 -20.667   4.636   3.038
    2    H2   MET   1           H2       MET   1 -21.264   3.509   1.921
    3    H3   MET   1           H3       MET   1 -22.217   4.839   2.377
    4    HA   MET   1           HA       MET   1 -23.064   3.751   4.089
    5   1HB   MET   1          2HB       MET   1 -22.747   1.327   4.165
    6   2HB   MET   1          1HB       MET   1 -21.294   1.462   3.173
    7   1HG   MET   1          1HG       MET   1 -23.859   2.628   2.145
    8   2HG   MET   1          2HG       MET   1 -22.498   1.960   1.246
    9   1HE   MET   1          1HE       MET   1 -24.576   1.463   0.060
   10   2HE   MET   1          2HE       MET   1 -24.914  -0.256  -0.119
   11   3HE   MET   1          3HE       MET   1 -25.987   0.763   0.848
   12    QB   MET   1           QB       MET   1 -22.021   1.394   3.669
   13    QG   MET   1           QG       MET   1 -23.179   2.294   1.695
   14    ME   MET   1           ME       MET   1 -25.159   0.657   0.263
   15    H    SER   2           H        SER   2 -19.893   2.117   4.226
   16    HA   SER   2           HA       SER   2 -19.645   2.349   7.042
   17   1HB   SER   2          1HB       SER   2 -17.769   1.778   4.793
   18   2HB   SER   2          2HB       SER   2 -17.058   2.231   6.340
   19    HG   SER   2           HG       SER   2 -19.062   0.245   6.046
   20    QB   SER   2           QB       SER   2 -17.414   2.004   5.567
   21    H    TRP   3           H        TRP   3 -18.483   3.850   8.339
   22    HA   TRP   3           HA       TRP   3 -18.223   6.536   7.089
   23   1HB   TRP   3          1HB       TRP   3 -19.231   5.608   9.581
   24   2HB   TRP   3          2HB       TRP   3 -17.787   6.557   9.931
   25    HD1  TRP   3           HD1      TRP   3 -21.092   7.295  10.155
   26    HE1  TRP   3           HE1      TRP   3 -21.768   9.613   9.250
   27    HE3  TRP   3           HE3      TRP   3 -17.036   8.314   7.227
   28    HZ2  TRP   3           HZ2      TRP   3 -20.726  11.633   7.513
   29    HZ3  TRP   3           HZ3      TRP   3 -16.902  10.439   5.959
   30    HH2  TRP   3           HH2      TRP   3 -18.740  12.098   6.097
   31    QB   TRP   3           QB       TRP   3 -18.509   6.082   9.756
   32    H    ALA   4           H        ALA   4 -16.412   7.525   9.155
   33    HA   ALA   4           HA       ALA   4 -14.096   7.621   9.614
   34   1HB   ALA   4          2HB       ALA   4 -13.376   5.014   8.521
   35   2HB   ALA   4          1HB       ALA   4 -14.723   4.909   9.655
   36   3HB   ALA   4          3HB       ALA   4 -13.195   5.628  10.165
   37    MB   ALA   4           MB       ALA   4 -13.764   5.184   9.447
   38    H    LEU   5           H        LEU   5 -15.126   8.563   7.065
   39    HA   LEU   5           HA       LEU   5 -13.674   7.602   4.829
   40   1HB   LEU   5          1HB       LEU   5 -15.566   9.398   4.974
   41   2HB   LEU   5          2HB       LEU   5 -14.238  10.536   5.209
   42    HG   LEU   5           HG       LEU   5 -14.006   8.573   2.970
   43   1HD1  LEU   5          1HD1      LEU   5 -16.328   9.444   2.797
   44   2HD1  LEU   5          2HD1      LEU   5 -15.695  11.090   2.833
   45   3HD1  LEU   5          3HD1      LEU   5 -15.307  10.025   1.482
   46   1HD2  LEU   5          1HD2      LEU   5 -12.343  10.443   3.789
   47   2HD2  LEU   5          2HD2      LEU   5 -12.599  10.204   2.060
   48   3HD2  LEU   5          3HD2      LEU   5 -13.419  11.520   2.899
   49    MD1  LEU   5           MD1      LEU   5 -15.777  10.186   2.371
   50    MD2  LEU   5           MD2      LEU   5 -12.787  10.722   2.916
   51    QB   LEU   5           QB       LEU   5 -14.902   9.967   5.091
   52    QD   LEU   5           QD       LEU   5 -14.282  10.454   2.643
   53    H    GLU   6           H        GLU   6 -12.715   9.742   7.456
   54    HA   GLU   6           HA       GLU   6 -10.372  10.868   6.354
   55   1HB   GLU   6          1HB       GLU   6 -10.947   9.962   9.190
   56   2HB   GLU   6          2HB       GLU   6  -9.546  10.930   8.732
   57   1HG   GLU   6          1HG       GLU   6 -11.235  12.555   7.664
   58   2HG   GLU   6          2HG       GLU   6 -12.466  11.686   8.581
   59    QB   GLU   6           QB       GLU   6 -10.247  10.446   8.961
   60    QG   GLU   6           QG       GLU   6 -11.850  12.121   8.122
   61    H    MET   7           H        MET   7 -10.731   7.787   8.131
   62    HA   MET   7           HA       MET   7  -7.968   7.012   7.648
   63   1HB   MET   7          1HB       MET   7 -10.121   6.093   9.251
   64   2HB   MET   7          2HB       MET   7  -9.696   4.761   8.175
   65   1HG   MET   7          1HG       MET   7  -7.482   6.265   9.513
   66   2HG   MET   7          2HG       MET   7  -8.411   5.114  10.473
   67   1HE   MET   7          1HE       MET   7  -8.237   3.130  10.693
   68   2HE   MET   7          2HE       MET   7  -8.609   2.169   9.264
   69   3HE   MET   7          3HE       MET   7  -7.031   2.019  10.049
   70    QB   MET   7           QB       MET   7  -9.909   5.427   8.713
   71    QG   MET   7           QG       MET   7  -7.947   5.689   9.993
   72    ME   MET   7           ME       MET   7  -7.959   2.439  10.002
   73    H    ALA   8           H        ALA   8 -11.059   6.545   6.074
   74    HA   ALA   8           HA       ALA   8 -10.436   4.398   4.343
   75   1HB   ALA   8          1HB       ALA   8 -12.613   6.008   4.704
   76   2HB   ALA   8          2HB       ALA   8 -12.021   6.590   3.148
   77   3HB   ALA   8          3HB       ALA   8 -12.430   4.887   3.355
   78    MB   ALA   8           MB       ALA   8 -12.355   5.828   3.736
   79    H    ASP   9           H        ASP   9  -9.557   7.816   4.156
   80    HA   ASP   9           HA       ASP   9  -8.757   7.995   1.466
   81   1HB   ASP   9          1HB       ASP   9  -8.623   9.690   3.549
   82   2HB   ASP   9          2HB       ASP   9  -6.934   9.182   3.503
   83    QB   ASP   9           QB       ASP   9  -7.779   9.436   3.526
   84    H    THR  10           H        THR  10  -6.635   7.134   4.225
   85    HA   THR  10           HA       THR  10  -4.366   6.394   2.760
   86    HB   THR  10           HB       THR  10  -4.869   4.499   4.917
   87    HG1  THR  10           HG1      THR  10  -5.149   7.269   5.452
   88   1HG2  THR  10          1HG2      THR  10  -2.742   5.862   3.813
   89   2HG2  THR  10          2HG2      THR  10  -2.979   6.705   5.343
   90   3HG2  THR  10          3HG2      THR  10  -2.693   4.964   5.330
   91    MG   THR  10           MG       THR  10  -2.805   5.844   4.829
   92    H    PHE  11           H        PHE  11  -7.278   4.486   3.461
   93    HA   PHE  11           HA       PHE  11  -6.413   2.014   2.365
   94   1HB   PHE  11          1HB       PHE  11  -8.621   2.608   3.613
   95   2HB   PHE  11          2HB       PHE  11  -9.228   3.035   2.011
   96    HD1  PHE  11           HD1      PHE  11  -7.191   0.279   3.561
   97    HD2  PHE  11           HD2      PHE  11 -10.368   1.360   0.881
   98    HE1  PHE  11           HE1      PHE  11  -7.591  -2.119   3.066
   99    HE2  PHE  11           HE2      PHE  11 -10.768  -1.037   0.386
  100    HZ   PHE  11           HZ       PHE  11  -9.379  -2.777   1.479
  101    QB   PHE  11           QB       PHE  11  -8.925   2.821   2.812
  102    QD   PHE  11           QD       PHE  11  -8.780   0.819   2.221
  103    QE   PHE  11           QE       PHE  11  -9.179  -1.578   1.726
  104    QR   PHE  11           QR       PHE  11  -9.059  -0.859   1.875
  105    H    LEU  12           H        LEU  12  -7.906   4.844   0.813
  106    HA   LEU  12           HA       LEU  12  -8.108   3.752  -1.810
  107   1HB   LEU  12          1HB       LEU  12  -8.135   6.443  -0.584
  108   2HB   LEU  12          2HB       LEU  12  -7.591   6.406  -2.261
  109    HG   LEU  12           HG       LEU  12 -10.104   6.684  -1.922
  110   1HD1  LEU  12          1HD1      LEU  12  -8.656   5.386  -3.868
  111   2HD1  LEU  12          2HD1      LEU  12  -9.852   4.166  -3.428
  112   3HD1  LEU  12          3HD1      LEU  12 -10.376   5.758  -3.977
  113   1HD2  LEU  12          1HD2      LEU  12  -9.707   4.487  -0.222
  114   2HD2  LEU  12          2HD2      LEU  12 -11.261   5.148  -0.734
  115   3HD2  LEU  12          3HD2      LEU  12 -10.530   3.818  -1.631
  116    MD1  LEU  12           MD1      LEU  12  -9.628   5.103  -3.758
  117    MD2  LEU  12           MD2      LEU  12 -10.499   4.484  -0.862
  118    QB   LEU  12           QB       LEU  12  -7.863   6.425  -1.423
  119    QD   LEU  12           QD       LEU  12 -10.064   4.794  -2.310
  120    H    ASP  13           H        ASP  13  -5.449   5.258  -0.042
  121    HA   ASP  13           HA       ASP  13  -3.644   5.515  -2.256
  122   1HB   ASP  13          1HB       ASP  13  -3.573   5.968   0.547
  123   2HB   ASP  13          2HB       ASP  13  -2.226   4.894   0.169
  124    QB   ASP  13           QB       ASP  13  -2.900   5.431   0.358
  125    H    ASN  14           H        ASN  14  -4.372   2.830  -0.055
  126    HA   ASN  14           HA       ASN  14  -2.274   1.154  -1.263
  127   1HB   ASN  14          1HB       ASN  14  -2.754   0.968   1.153
  128   2HB   ASN  14          2HB       ASN  14  -4.413   0.494   0.786
  129   2HD2  ASN  14          1HD2      ASN  14  -4.452  -1.708   1.361
  130   1HD2  ASN  14          2HD2      ASN  14  -3.369  -2.870   0.763
  131    QB   ASN  14           QB       ASN  14  -3.584   0.731   0.969
  132    QD   ASN  14           QD       ASN  14  -3.911  -2.289   1.062
  133    H    MET  15           H        MET  15  -5.069   2.174  -2.454
  134    HA   MET  15           HA       MET  15  -6.120  -0.449  -3.337
  135   1HB   MET  15          1HB       MET  15  -7.104   2.367  -3.351
  136   2HB   MET  15          2HB       MET  15  -7.673   1.311  -4.644
  137   1HG   MET  15          1HG       MET  15  -8.213  -0.390  -2.796
  138   2HG   MET  15          2HG       MET  15  -7.994   0.943  -1.663
  139   1HE   MET  15          1HE       MET  15  -9.234  -0.138  -4.851
  140   2HE   MET  15          2HE       MET  15 -10.971  -0.244  -4.582
  141   3HE   MET  15          3HE       MET  15 -10.283   1.164  -5.404
  142    QB   MET  15           QB       MET  15  -7.389   1.839  -3.998
  143    QG   MET  15           QG       MET  15  -8.104   0.277  -2.230
  144    ME   MET  15           ME       MET  15 -10.163   0.261  -4.946
  145    H    ARG  16           H        ARG  16  -3.717  -0.384  -4.325
  146    HA   ARG  16           HA       ARG  16  -3.641   0.971  -6.939
  147   1HB   ARG  16          1HB       ARG  16  -1.674  -0.648  -5.327
  148   2HB   ARG  16          2HB       ARG  16  -1.382  -0.327  -7.038
  149   1HG   ARG  16          1HG       ARG  16  -1.274   2.004  -6.709
  150   2HG   ARG  16          2HG       ARG  16  -2.091   1.913  -5.148
  151   1HD   ARG  16          1HD       ARG  16   0.656   0.758  -5.708
  152   2HD   ARG  16          2HD       ARG  16   0.370   2.319  -4.940
  153    HE   ARG  16           HE       ARG  16  -1.099   0.420  -3.462
  154   1HH1  ARG  16          1HH1      ARG  16   2.025  -0.014  -4.625
  155   2HH1  ARG  16          2HH1      ARG  16   2.767  -0.198  -3.070
  156   1HH2  ARG  16          1HH2      ARG  16  -0.095   0.663  -1.310
  157   2HH2  ARG  16          2HH2      ARG  16   1.566   0.188  -1.194
  158    QB   ARG  16           QB       ARG  16  -1.528  -0.487  -6.182
  159    QG   ARG  16           QG       ARG  16  -1.682   1.959  -5.928
  160    QD   ARG  16           QD       ARG  16   0.513   1.538  -5.324
  161    QH1  ARG  16           QH1      ARG  16   2.396  -0.106  -3.847
  162    QH2  ARG  16           QH2      ARG  16   0.735   0.426  -1.252
  163    H    VAL  17           H        VAL  17  -5.658  -0.449  -7.364
  164    HA   VAL  17           HA       VAL  17  -6.326  -1.923  -9.126
  165    HB   VAL  17           HB       VAL  17  -3.700  -2.305  -9.437
  166   1HG1  VAL  17          1HG1      VAL  17  -3.882  -3.953  -7.385
  167   2HG1  VAL  17          2HG1      VAL  17  -4.507  -5.075  -8.594
  168   3HG1  VAL  17          3HG1      VAL  17  -2.890  -4.393  -8.776
  169   1HG2  VAL  17          1HG2      VAL  17  -5.484  -2.717 -11.104
  170   2HG2  VAL  17          2HG2      VAL  17  -4.267  -3.994 -11.129
  171   3HG2  VAL  17          3HG2      VAL  17  -5.821  -4.273 -10.345
  172    MG1  VAL  17           MG1      VAL  17  -3.760  -4.474  -8.252
  173    MG2  VAL  17           MG2      VAL  17  -5.191  -3.662 -10.859
  174    QG   VAL  17           QG       VAL  17  -4.475  -4.068  -9.556
  175    H    GLY  18           H        GLY  18  -5.783  -2.391  -5.867
  176   1HA   GLY  18          1HA       GLY  18  -6.439  -5.053  -5.337
  177   2HA   GLY  18          2HA       GLY  18  -6.987  -3.711  -4.330
  178    QA   GLY  18           QA       GLY  18  -6.713  -4.382  -4.834
  179   1HB   PRO  19          1HB       PRO  19 -11.085  -7.858  -6.084
  180   2HB   PRO  19          2HB       PRO  19  -9.969  -7.660  -7.447
  181   1HG   PRO  19          2HG       PRO  19  -8.431  -8.674  -6.054
  182   2HG   PRO  19          1HG       PRO  19  -9.355  -8.281  -4.595
  183   1HD   PRO  19          1HD       PRO  19  -7.852  -6.575  -4.246
  184   2HD   PRO  19          2HD       PRO  19  -7.156  -6.778  -5.867
  185    QB   PRO  19           QB       PRO  19 -10.527  -7.759  -6.766
  186    QG   PRO  19           QG       PRO  19  -8.893  -8.477  -5.325
  187    QD   PRO  19           QD       PRO  19  -7.504  -6.677  -5.056
  188    H    ARG  20           H        ARG  20 -11.312  -3.625  -5.824
  189    HA   ARG  20           HA       ARG  20 -12.895  -4.635  -3.494
  190   1HB   ARG  20          2HB       ARG  20 -12.849  -2.337  -2.632
  191   2HB   ARG  20          1HB       ARG  20 -11.972  -1.799  -4.065
  192   1HG   ARG  20          1HG       ARG  20 -10.184  -3.516  -3.444
  193   2HG   ARG  20          2HG       ARG  20 -10.319  -2.128  -2.364
  194   1HD   ARG  20          1HD       ARG  20 -11.177  -3.377  -0.639
  195   2HD   ARG  20          2HD       ARG  20 -12.020  -4.483  -1.723
  196    HE   ARG  20           HE       ARG  20  -9.051  -4.618  -1.399
  197   1HH1  ARG  20          1HH1      ARG  20  -8.938  -6.735  -2.749
  198   2HH1  ARG  20          2HH1      ARG  20  -9.811  -8.038  -2.014
  199   1HH2  ARG  20          1HH2      ARG  20 -11.601  -5.980   0.126
  200   2HH2  ARG  20          2HH2      ARG  20 -11.318  -7.610  -0.387
  201    QB   ARG  20           QB       ARG  20 -12.410  -2.068  -3.348
  202    QG   ARG  20           QG       ARG  20 -10.251  -2.822  -2.904
  203    QD   ARG  20           QD       ARG  20 -11.598  -3.930  -1.181
  204    QH1  ARG  20           QH1      ARG  20  -9.375  -7.386  -2.382
  205    QH2  ARG  20           QH2      ARG  20 -11.459  -6.795  -0.131
  206    H    THR  21           H        THR  21 -14.331  -1.911  -3.667
  207    HA   THR  21           HA       THR  21 -15.693  -1.797  -6.184
  208    HB   THR  21           HB       THR  21 -17.803  -2.735  -4.487
  209    HG1  THR  21           HG1      THR  21 -17.080  -4.814  -4.111
  210   1HG2  THR  21          1HG2      THR  21 -16.497  -3.627  -7.053
  211   2HG2  THR  21          2HG2      THR  21 -17.840  -4.526  -6.350
  212   3HG2  THR  21          3HG2      THR  21 -18.061  -2.845  -6.833
  213    MG   THR  21           MG       THR  21 -17.466  -3.666  -6.745
  214    H    TYR  22           H        TYR  22 -18.104  -0.783  -5.580
  215    HA   TYR  22           HA       TYR  22 -19.200   1.101  -4.719
  216   1HB   TYR  22          1HB       TYR  22 -17.408   0.372  -2.398
  217   2HB   TYR  22          2HB       TYR  22 -18.472   1.775  -2.339
  218    HD1  TYR  22           HD1      TYR  22 -19.655  -0.942  -4.406
  219    HD2  TYR  22           HD2      TYR  22 -19.566   0.555  -0.380
  220    HE1  TYR  22           HE1      TYR  22 -21.562  -2.411  -3.819
  221    HE2  TYR  22           HE2      TYR  22 -21.473  -0.917   0.208
  222    HH   TYR  22           HH       TYR  22 -22.669  -2.747  -0.498
  223    QB   TYR  22           QB       TYR  22 -17.940   1.074  -2.369
  224    QD   TYR  22           QD       TYR  22 -19.610  -0.194  -2.393
  225    QE   TYR  22           QE       TYR  22 -21.518  -1.664  -1.805
  226    QR   TYR  22           QR       TYR  22 -20.564  -0.929  -2.099
  227    H    ALA  23           H        ALA  23 -16.219   1.118  -5.906
  228    HA   ALA  23           HA       ALA  23 -15.167   3.632  -4.969
  229   1HB   ALA  23          1HB       ALA  23 -14.484   1.643  -7.013
  230   2HB   ALA  23          3HB       ALA  23 -13.419   2.627  -6.009
  231   3HB   ALA  23          2HB       ALA  23 -14.105   3.299  -7.487
  232    MB   ALA  23           MB       ALA  23 -14.002   2.523  -6.836
  233    H    ASP  24           H        ASP  24 -17.262   2.651  -7.551
  234    HA   ASP  24           HA       ASP  24 -17.395   5.337  -8.726
  235   1HB   ASP  24          1HB       ASP  24 -18.820   2.729  -9.272
  236   2HB   ASP  24          2HB       ASP  24 -19.285   4.227 -10.079
  237    QB   ASP  24           QB       ASP  24 -19.052   3.478  -9.676
  238    H    VAL  25           H        VAL  25 -19.723   3.167  -7.081
  239    HA   VAL  25           HA       VAL  25 -21.883   4.936  -6.879
  240    HB   VAL  25           HB       VAL  25 -21.060   3.187  -4.562
  241   1HG1  VAL  25          1HG1      VAL  25 -23.128   4.611  -4.456
  242   2HG1  VAL  25          2HG1      VAL  25 -23.749   3.731  -5.852
  243   3HG1  VAL  25          3HG1      VAL  25 -23.458   2.883  -4.334
  244   1HG2  VAL  25          1HG2      VAL  25 -21.488   2.415  -7.347
  245   2HG2  VAL  25          2HG2      VAL  25 -20.905   1.445  -5.995
  246   3HG2  VAL  25          3HG2      VAL  25 -22.637   1.634  -6.260
  247    MG1  VAL  25           MG1      VAL  25 -23.445   3.741  -4.881
  248    MG2  VAL  25           MG2      VAL  25 -21.677   1.831  -6.534
  249    QG   VAL  25           QG       VAL  25 -22.561   2.786  -5.708
  250    H    ARG  26           H        ARG  26 -19.109   4.618  -4.645
  251    HA   ARG  26           HA       ARG  26 -19.988   6.808  -2.962
  252   1HB   ARG  26          1HB       ARG  26 -17.357   5.350  -3.273
  253   2HB   ARG  26          2HB       ARG  26 -17.565   6.686  -2.140
  254   1HG   ARG  26          1HG       ARG  26 -19.767   4.839  -1.879
  255   2HG   ARG  26          2HG       ARG  26 -18.237   3.972  -1.722
  256   1HD   ARG  26          1HD       ARG  26 -19.072   4.879   0.456
  257   2HD   ARG  26          2HD       ARG  26 -17.488   5.511   0.007
  258    HE   ARG  26           HE       ARG  26 -18.733   7.571  -0.809
  259   1HH1  ARG  26          1HH1      ARG  26 -21.396   6.039  -0.181
  260   2HH1  ARG  26          2HH1      ARG  26 -21.906   6.914   1.224
  261   1HH2  ARG  26          1HH2      ARG  26 -18.829   8.431   1.723
  262   2HH2  ARG  26          2HH2      ARG  26 -20.452   8.265   2.304
  263    QB   ARG  26           QB       ARG  26 -17.461   6.018  -2.706
  264    QG   ARG  26           QG       ARG  26 -19.002   4.405  -1.801
  265    QD   ARG  26           QD       ARG  26 -18.280   5.195   0.232
  266    QH1  ARG  26           QH1      ARG  26 -21.651   6.477   0.522
  267    QH2  ARG  26           QH2      ARG  26 -19.641   8.348   2.013
  268    H    ASP  27           H        ASP  27 -17.752   6.538  -5.716
  269    HA   ASP  27           HA       ASP  27 -16.736   9.220  -5.516
  270   1HB   ASP  27          1HB       ASP  27 -16.752   7.078  -7.588
  271   2HB   ASP  27          2HB       ASP  27 -16.468   8.726  -8.146
  272    QB   ASP  27           QB       ASP  27 -16.610   7.902  -7.867
  273    H    GLU  28           H        GLU  28 -19.781   7.982  -6.477
  274    HA   GLU  28           HA       GLU  28 -20.511  10.020  -8.383
  275   1HB   GLU  28          1HB       GLU  28 -21.714   7.716  -7.329
  276   2HB   GLU  28          2HB       GLU  28 -22.748   9.041  -6.793
  277   1HG   GLU  28          1HG       GLU  28 -22.716   9.893  -9.184
  278   2HG   GLU  28          2HG       GLU  28 -21.938   8.375  -9.633
  279    QB   GLU  28           QB       GLU  28 -22.231   8.379  -7.061
  280    QG   GLU  28           QG       GLU  28 -22.327   9.134  -9.408
  281    H    ILE  29           H        ILE  29 -20.565   9.797  -4.864
  282    HA   ILE  29           HA       ILE  29 -22.137  12.201  -4.514
  283    HB   ILE  29           HB       ILE  29 -21.771  10.297  -2.822
  284   1HG1  ILE  29          2HG1      ILE  29 -22.055  13.180  -2.448
  285   2HG1  ILE  29          1HG1      ILE  29 -21.354  12.396  -1.031
  286   1HG2  ILE  29          1HG2      ILE  29 -19.116  11.051  -3.151
  287   2HG2  ILE  29          2HG2      ILE  29 -19.556  11.764  -1.598
  288   3HG2  ILE  29          3HG2      ILE  29 -19.745  10.030  -1.857
  289   1HD1  ILE  29          1HD1      ILE  29 -23.256  10.637  -1.376
  290   2HD1  ILE  29          2HD1      ILE  29 -23.663  12.191  -0.645
  291   3HD1  ILE  29          3HD1      ILE  29 -24.016  11.897  -2.348
  292    MG   ILE  29           MG       ILE  29 -19.472  10.949  -2.202
  293    MD   ILE  29           MD       ILE  29 -23.645  11.575  -1.456
  294    QG   ILE  29           QG       ILE  29 -21.704  12.788  -1.739
  295    H    ASN  30           H        ASN  30 -19.412  12.153  -6.039
  296    HA   ASN  30           HA       ASN  30 -18.155  14.461  -4.665
  297   1HB   ASN  30          1HB       ASN  30 -16.857  12.317  -5.499
  298   2HB   ASN  30          2HB       ASN  30 -16.968  13.112  -7.070
  299   2HD2  ASN  30          1HD2      ASN  30 -15.010  12.889  -4.347
  300   1HD2  ASN  30          2HD2      ASN  30 -14.177  14.359  -4.501
  301    QB   ASN  30           QB       ASN  30 -16.912  12.714  -6.285
  302    QD   ASN  30           QD       ASN  30 -14.593  13.624  -4.424
  303    H    LYS  31           H        LYS  31 -18.706  13.424  -8.048
  304    HA   LYS  31           HA       LYS  31 -18.793  16.121  -9.048
  305   1HB   LYS  31          1HB       LYS  31 -18.254  14.261 -10.535
  306   2HB   LYS  31          2HB       LYS  31 -19.816  13.510 -10.212
  307   1HG   LYS  31          1HG       LYS  31 -20.985  15.070 -11.475
  308   2HG   LYS  31          2HG       LYS  31 -19.755  16.317 -11.261
  309   1HD   LYS  31          1HD       LYS  31 -19.104  13.801 -12.775
  310   2HD   LYS  31          2HD       LYS  31 -19.945  15.126 -13.580
  311   1HE   LYS  31          1HE       LYS  31 -17.612  15.959 -11.978
  312   2HE   LYS  31          2HE       LYS  31 -17.220  14.936 -13.361
  313   1HZ   LYS  31          1HZ       LYS  31 -18.858  17.411 -13.451
  314   2HZ   LYS  31          2HZ       LYS  31 -17.249  17.275 -13.967
  315   3HZ   LYS  31          3HZ       LYS  31 -18.475  16.427 -14.781
  316    QB   LYS  31           QB       LYS  31 -19.035  13.885 -10.373
  317    QD   LYS  31           QD       LYS  31 -19.524  14.463 -13.178
  318    QG   LYS  31           QG       LYS  31 -20.370  15.694 -11.368
  319    QE   LYS  31           QE       LYS  31 -17.416  15.448 -12.669
  320    QZ   LYS  31           QZ       LYS  31 -18.194  17.038 -14.066
  321    H    ARG  32           H        ARG  32 -21.120  13.982  -7.585
  322    HA   ARG  32           HA       ARG  32 -23.313  15.884  -8.299
  323   1HB   ARG  32          1HB       ARG  32 -23.198  13.055  -8.288
  324   2HB   ARG  32          2HB       ARG  32 -24.232  13.514  -6.935
  325   1HG   ARG  32          1HG       ARG  32 -25.877  14.257  -8.300
  326   2HG   ARG  32          2HG       ARG  32 -24.737  15.091  -9.356
  327   1HD   ARG  32          1HD       ARG  32 -25.235  13.464 -10.857
  328   2HD   ARG  32          2HD       ARG  32 -24.172  12.450  -9.880
  329    HE   ARG  32           HE       ARG  32 -26.845  12.441  -8.803
  330   1HH1  ARG  32          1HH1      ARG  32 -24.713  11.139 -11.178
  331   2HH1  ARG  32          2HH1      ARG  32 -25.704   9.756 -11.499
  332   1HH2  ARG  32          1HH2      ARG  32 -28.202  10.695  -9.287
  333   2HH2  ARG  32          2HH2      ARG  32 -27.677   9.504 -10.430
  334    QB   ARG  32           QB       ARG  32 -23.715  13.284  -7.611
  335    QG   ARG  32           QG       ARG  32 -25.307  14.674  -8.828
  336    QD   ARG  32           QD       ARG  32 -24.703  12.957 -10.369
  337    QH1  ARG  32           QH1      ARG  32 -25.208  10.447 -11.339
  338    QH2  ARG  32           QH2      ARG  32 -27.939  10.100  -9.858
  339    H    GLY  33           H        GLY  33 -21.458  16.668  -6.324
  340   1HA   GLY  33          1HA       GLY  33 -23.275  16.955  -4.031
  341   2HA   GLY  33          2HA       GLY  33 -21.773  16.099  -3.680
  342    QA   GLY  33           QA       GLY  33 -22.524  16.527  -3.855
  343    H    ARG  34           H        ARG  34 -21.802  18.600  -6.105
  344    HA   ARG  34           HA       ARG  34 -19.795  20.108  -4.628
  345   1HB   ARG  34          1HB       ARG  34 -20.314  19.831  -7.271
  346   2HB   ARG  34          2HB       ARG  34 -21.143  21.358  -6.961
  347   1HG   ARG  34          1HG       ARG  34 -19.152  22.391  -6.153
  348   2HG   ARG  34          2HG       ARG  34 -18.312  20.845  -6.033
  349   1HD   ARG  34          1HD       ARG  34 -17.749  20.849  -8.229
  350   2HD   ARG  34          2HD       ARG  34 -19.339  21.427  -8.727
  351    HE   ARG  34           HE       ARG  34 -18.186  23.653  -7.569
  352   1HH1  ARG  34          1HH1      ARG  34 -17.818  21.646 -10.310
  353   2HH1  ARG  34          2HH1      ARG  34 -16.618  22.644 -11.062
  354   1HH2  ARG  34          1HH2      ARG  34 -16.387  24.839  -8.387
  355   2HH2  ARG  34          2HH2      ARG  34 -15.808  24.452  -9.973
  356    QB   ARG  34           QB       ARG  34 -20.728  20.595  -7.116
  357    QG   ARG  34           QG       ARG  34 -18.732  21.618  -6.093
  358    QD   ARG  34           QD       ARG  34 -18.544  21.138  -8.478
  359    QH1  ARG  34           QH1      ARG  34 -17.218  22.145 -10.686
  360    QH2  ARG  34           QH2      ARG  34 -16.097  24.646  -9.180

  No H/Q in entry =         360
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1 -11.893  13.053   6.300
    2    H2   MET   1           H2       MET   1 -10.638  14.183   6.152
    3    H3   MET   1           H3       MET   1 -11.352  13.905   7.667
    4    HA   MET   1           HA       MET   1 -12.162  15.973   6.766
    5   1HB   MET   1          1HB       MET   1 -12.616  14.196   4.395
    6   2HB   MET   1          2HB       MET   1 -13.716  15.551   4.659
    7   1HG   MET   1          1HG       MET   1 -11.692  17.048   4.848
    8   2HG   MET   1          2HG       MET   1 -10.705  15.676   4.345
    9   1HE   MET   1          1HE       MET   1 -10.959  14.361   2.637
   10   2HE   MET   1          2HE       MET   1 -11.997  14.489   1.219
   11   3HE   MET   1          3HE       MET   1 -10.433  15.316   1.252
   12    QB   MET   1           QB       MET   1 -13.166  14.874   4.527
   13    QG   MET   1           QG       MET   1 -11.199  16.362   4.597
   14    ME   MET   1           ME       MET   1 -11.130  14.722   1.703
   15    H    SER   2           H        SER   2 -13.158  12.944   7.702
   16    HA   SER   2           HA       SER   2 -15.598  13.988   8.884
   17   1HB   SER   2          1HB       SER   2 -16.076  13.301   6.371
   18   2HB   SER   2          2HB       SER   2 -16.096  11.674   7.044
   19    HG   SER   2           HG       SER   2 -18.117  12.284   7.394
   20    QB   SER   2           QB       SER   2 -16.086  12.488   6.708
   21    H    TRP   3           H        TRP   3 -16.846  11.391   9.169
   22    HA   TRP   3           HA       TRP   3 -15.414  10.397  11.441
   23   1HB   TRP   3          1HB       TRP   3 -17.600   9.134   9.772
   24   2HB   TRP   3          2HB       TRP   3 -17.028   8.491  11.309
   25    HD1  TRP   3           HD1      TRP   3 -19.942   9.210  11.308
   26    HE1  TRP   3           HE1      TRP   3 -20.891  11.202  12.631
   27    HE3  TRP   3           HE3      TRP   3 -15.714  12.072  11.814
   28    HZ2  TRP   3           HZ2      TRP   3 -19.999  13.663  13.754
   29    HZ3  TRP   3           HZ3      TRP   3 -15.809  14.226  13.018
   30    HH2  TRP   3           HH2      TRP   3 -17.943  15.029  13.987
   31    QB   TRP   3           QB       TRP   3 -17.314   8.813  10.540
   32    H    ALA   4           H        ALA   4 -16.310   8.003   9.051
   33    HA   ALA   4           HA       ALA   4 -13.647   6.804   9.293
   34   1HB   ALA   4          2HB       ALA   4 -15.596   5.723   7.331
   35   2HB   ALA   4          1HB       ALA   4 -16.104   5.716   9.019
   36   3HB   ALA   4          3HB       ALA   4 -14.628   4.879   8.539
   37    MB   ALA   4           MB       ALA   4 -15.443   5.439   8.296
   38    H    LEU   5           H        LEU   5 -14.398   9.391   7.620
   39    HA   LEU   5           HA       LEU   5 -13.578   8.584   4.927
   40   1HB   LEU   5          1HB       LEU   5 -14.986  10.716   5.849
   41   2HB   LEU   5          2HB       LEU   5 -13.384  11.439   5.706
   42    HG   LEU   5           HG       LEU   5 -13.654   9.931   3.374
   43   1HD1  LEU   5          1HD1      LEU   5 -16.272  11.086   4.273
   44   2HD1  LEU   5          2HD1      LEU   5 -15.865  11.123   2.557
   45   3HD1  LEU   5          3HD1      LEU   5 -15.953   9.583   3.410
   46   1HD2  LEU   5          1HD2      LEU   5 -12.700  12.273   3.820
   47   2HD2  LEU   5          2HD2      LEU   5 -13.539  12.049   2.285
   48   3HD2  LEU   5          3HD2      LEU   5 -14.350  12.865   3.623
   49    MD1  LEU   5           MD1      LEU   5 -16.030  10.597   3.413
   50    MD2  LEU   5           MD2      LEU   5 -13.530  12.395   3.242
   51    QB   LEU   5           QB       LEU   5 -14.185  11.078   5.777
   52    QD   LEU   5           QD       LEU   5 -14.780  11.496   3.328
   53    H    GLU   6           H        GLU   6 -12.100  10.498   7.565
   54    HA   GLU   6           HA       GLU   6  -9.598  10.966   6.355
   55   1HB   GLU   6          2HB       GLU   6 -10.303  11.949   8.527
   56   2HB   GLU   6          1HB       GLU   6  -8.713  11.191   8.636
   57   1HG   GLU   6          1HG       GLU   6 -11.009   9.407   9.202
   58   2HG   GLU   6          2HG       GLU   6  -9.457   9.544  10.031
   59    QB   GLU   6           QB       GLU   6  -9.508  11.570   8.581
   60    QG   GLU   6           QG       GLU   6 -10.233   9.475   9.617
   61    H    MET   7           H        MET   7 -10.929   8.038   7.723
   62    HA   MET   7           HA       MET   7  -8.318   6.674   7.735
   63   1HB   MET   7          1HB       MET   7  -9.910   6.058   9.468
   64   2HB   MET   7          2HB       MET   7 -11.136   5.680   8.256
   65   1HG   MET   7          1HG       MET   7  -8.612   4.272   7.789
   66   2HG   MET   7          2HG       MET   7  -9.342   3.869   9.344
   67   1HE   MET   7          1HE       MET   7  -9.215   1.668   8.519
   68   2HE   MET   7          2HE       MET   7 -10.503   0.834   7.653
   69   3HE   MET   7          3HE       MET   7  -9.179   1.568   6.753
   70    QB   MET   7           QB       MET   7 -10.523   5.869   8.862
   71    QG   MET   7           QG       MET   7  -8.977   4.070   8.567
   72    ME   MET   7           ME       MET   7  -9.632   1.357   7.642
   73    H    ALA   8           H        ALA   8 -11.324   6.649   5.830
   74    HA   ALA   8           HA       ALA   8 -10.698   4.504   4.096
   75   1HB   ALA   8          3HB       ALA   8 -12.668   5.120   3.197
   76   2HB   ALA   8          2HB       ALA   8 -11.960   6.626   2.612
   77   3HB   ALA   8          1HB       ALA   8 -12.659   6.550   4.230
   78    MB   ALA   8           MB       ALA   8 -12.429   6.099   3.347
   79    H    ASP   9           H        ASP   9  -9.693   7.909   3.974
   80    HA   ASP   9           HA       ASP   9  -8.551   8.052   1.438
   81   1HB   ASP   9          1HB       ASP   9  -8.098   9.365   4.023
   82   2HB   ASP   9          2HB       ASP   9  -6.662   9.327   3.000
   83    QB   ASP   9           QB       ASP   9  -7.380   9.346   3.512
   84    H    THR  10           H        THR  10  -7.025   6.730   4.390
   85    HA   THR  10           HA       THR  10  -4.547   6.025   3.170
   86    HB   THR  10           HB       THR  10  -4.387   4.355   5.067
   87    HG1  THR  10           HG1      THR  10  -6.278   5.008   6.598
   88   1HG2  THR  10          1HG2      THR  10  -5.088   7.252   5.501
   89   2HG2  THR  10          2HG2      THR  10  -4.648   6.215   6.857
   90   3HG2  THR  10          3HG2      THR  10  -3.501   6.484   5.544
   91    MG   THR  10           MG       THR  10  -4.412   6.651   5.967
   92    H    PHE  11           H        PHE  11  -7.627   4.284   3.398
   93    HA   PHE  11           HA       PHE  11  -6.699   1.778   2.394
   94   1HB   PHE  11          1HB       PHE  11  -8.997   2.386   3.427
   95   2HB   PHE  11          2HB       PHE  11  -9.437   2.898   1.798
   96    HD1  PHE  11           HD1      PHE  11  -9.159   1.227  -0.118
   97    HD2  PHE  11           HD2      PHE  11  -9.009   0.094   4.023
   98    HE1  PHE  11           HE1      PHE  11  -9.593  -1.132  -0.748
   99    HE2  PHE  11           HE2      PHE  11  -9.444  -2.265   3.391
  100    HZ   PHE  11           HZ       PHE  11  -9.735  -2.878   1.007
  101    QB   PHE  11           QB       PHE  11  -9.217   2.642   2.612
  102    QD   PHE  11           QD       PHE  11  -9.084   0.661   1.952
  103    QE   PHE  11           QE       PHE  11  -9.518  -1.699   1.322
  104    QR   PHE  11           QR       PHE  11  -9.388  -0.991   1.511
  105    H    LEU  12           H        LEU  12  -8.374   4.416   0.631
  106    HA   LEU  12           HA       LEU  12  -8.021   3.328  -1.964
  107   1HB   LEU  12          1HB       LEU  12  -8.946   5.793  -0.817
  108   2HB   LEU  12          2HB       LEU  12  -7.858   6.161  -2.156
  109    HG   LEU  12           HG       LEU  12  -9.221   4.276  -3.394
  110   1HD1  LEU  12          1HD1      LEU  12 -10.468   3.877  -1.133
  111   2HD1  LEU  12          2HD1      LEU  12 -11.394   5.310  -1.582
  112   3HD1  LEU  12          3HD1      LEU  12 -11.407   3.889  -2.627
  113   1HD2  LEU  12          1HD2      LEU  12  -9.334   7.088  -3.276
  114   2HD2  LEU  12          2HD2      LEU  12  -9.953   6.057  -4.567
  115   3HD2  LEU  12          3HD2      LEU  12 -11.014   6.551  -3.248
  116    MD1  LEU  12           MD1      LEU  12 -11.090   4.359  -1.781
  117    MD2  LEU  12           MD2      LEU  12 -10.100   6.566  -3.697
  118    QB   LEU  12           QB       LEU  12  -8.402   5.977  -1.487
  119    QD   LEU  12           QD       LEU  12 -10.595   5.462  -2.739
  120    H    ASP  13           H        ASP  13  -5.779   4.952   0.143
  121    HA   ASP  13           HA       ASP  13  -3.902   5.950  -1.718
  122   1HB   ASP  13          1HB       ASP  13  -3.855   6.249   0.795
  123   2HB   ASP  13          2HB       ASP  13  -3.206   4.614   0.909
  124    QB   ASP  13           QB       ASP  13  -3.530   5.431   0.852
  125    H    ASN  14           H        ASN  14  -3.662   2.794  -0.019
  126    HA   ASN  14           HA       ASN  14  -1.842   1.862  -2.157
  127   1HB   ASN  14          1HB       ASN  14  -2.504   1.013   0.615
  128   2HB   ASN  14          2HB       ASN  14  -2.041  -0.265  -0.509
  129   2HD2  ASN  14          1HD2      ASN  14  -0.110  -0.206   1.195
  130   1HD2  ASN  14          2HD2      ASN  14   1.200   0.787   0.770
  131    QB   ASN  14           QB       ASN  14  -2.273   0.374   0.053
  132    QD   ASN  14           QD       ASN  14   0.545   0.290   0.983
  133    H    MET  15           H        MET  15  -4.845   2.248  -2.500
  134    HA   MET  15           HA       MET  15  -5.638  -0.568  -3.076
  135   1HB   MET  15          1HB       MET  15  -7.202   0.977  -1.809
  136   2HB   MET  15          2HB       MET  15  -7.347   1.924  -3.291
  137   1HG   MET  15          1HG       MET  15  -7.826  -0.528  -4.301
  138   2HG   MET  15          2HG       MET  15  -8.418  -0.779  -2.659
  139   1HE   MET  15          1HE       MET  15  -8.274   2.190  -5.200
  140   2HE   MET  15          2HE       MET  15  -8.883   0.783  -6.069
  141   3HE   MET  15          3HE       MET  15  -9.926   2.188  -5.811
  142    QB   MET  15           QB       MET  15  -7.274   1.451  -2.550
  143    QG   MET  15           QG       MET  15  -8.122  -0.653  -3.480
  144    ME   MET  15           ME       MET  15  -9.028   1.720  -5.693
  145    H    ARG  16           H        ARG  16  -3.656   0.957  -4.678
  146    HA   ARG  16           HA       ARG  16  -5.052   1.628  -7.162
  147   1HB   ARG  16          1HB       ARG  16  -2.125   1.465  -6.412
  148   2HB   ARG  16          2HB       ARG  16  -2.679   1.872  -8.037
  149   1HG   ARG  16          1HG       ARG  16  -3.243   3.974  -7.426
  150   2HG   ARG  16          2HG       ARG  16  -4.058   3.411  -5.966
  151   1HD   ARG  16          1HD       ARG  16  -2.171   4.793  -5.308
  152   2HD   ARG  16          2HD       ARG  16  -1.810   3.116  -4.894
  153    HE   ARG  16           HE       ARG  16   0.095   3.480  -6.232
  154   1HH1  ARG  16          1HH1      ARG  16  -2.090   5.843  -7.176
  155   2HH1  ARG  16          2HH1      ARG  16  -1.591   5.894  -8.834
  156   1HH2  ARG  16          1HH2      ARG  16   0.481   3.126  -8.572
  157   2HH2  ARG  16          2HH2      ARG  16  -0.136   4.357  -9.624
  158    QB   ARG  16           QB       ARG  16  -2.402   1.669  -7.225
  159    QG   ARG  16           QG       ARG  16  -3.650   3.693  -6.696
  160    QD   ARG  16           QD       ARG  16  -1.991   3.954  -5.101
  161    QH1  ARG  16           QH1      ARG  16  -1.840   5.869  -8.005
  162    QH2  ARG  16           QH2      ARG  16   0.173   3.742  -9.098
  163    H    VAL  17           H        VAL  17  -3.912  -1.199  -5.694
  164    HA   VAL  17           HA       VAL  17  -3.204  -2.627  -8.132
  165    HB   VAL  17           HB       VAL  17  -3.969  -3.784  -5.438
  166   1HG1  VAL  17          1HG1      VAL  17  -3.741  -5.171  -7.681
  167   2HG1  VAL  17          2HG1      VAL  17  -2.015  -4.976  -7.378
  168   3HG1  VAL  17          3HG1      VAL  17  -3.034  -5.780  -6.185
  169   1HG2  VAL  17          1HG2      VAL  17  -1.305  -2.809  -6.513
  170   2HG2  VAL  17          2HG2      VAL  17  -2.163  -2.209  -5.094
  171   3HG2  VAL  17          3HG2      VAL  17  -1.469  -3.830  -5.084
  172    MG1  VAL  17           MG1      VAL  17  -2.930  -5.309  -7.081
  173    MG2  VAL  17           MG2      VAL  17  -1.646  -2.949  -5.563
  174    QG   VAL  17           QG       VAL  17  -2.288  -4.129  -6.322
  175    H    GLY  18           H        GLY  18  -6.121  -1.778  -6.582
  176   1HA   GLY  18          1HA       GLY  18  -8.191  -2.067  -7.910
  177   2HA   GLY  18          2HA       GLY  18  -7.591  -3.654  -8.385
  178    QA   GLY  18           QA       GLY  18  -7.891  -2.861  -8.147
  179   1HB   PRO  19          1HB       PRO  19 -12.309  -2.966  -4.447
  180   2HB   PRO  19          2HB       PRO  19 -11.027  -1.860  -3.920
  181   1HG   PRO  19          2HG       PRO  19 -11.552  -0.681  -5.837
  182   2HG   PRO  19          1HG       PRO  19 -12.335  -2.079  -6.590
  183   1HD   PRO  19          1HD       PRO  19 -10.423  -2.349  -7.831
  184   2HD   PRO  19          2HD       PRO  19  -9.554  -1.147  -6.853
  185    QB   PRO  19           QB       PRO  19 -11.668  -2.413  -4.184
  186    QG   PRO  19           QG       PRO  19 -11.944  -1.380  -6.213
  187    QD   PRO  19           QD       PRO  19  -9.989  -1.748  -7.342
  188    H    ARG  20           H        ARG  20 -11.602  -5.260  -3.463
  189    HA   ARG  20           HA       ARG  20 -12.054  -7.178  -5.714
  190   1HB   ARG  20          1HB       ARG  20 -10.932  -7.610  -3.174
  191   2HB   ARG  20          2HB       ARG  20 -12.560  -8.284  -3.079
  192   1HG   ARG  20          1HG       ARG  20 -12.151  -9.577  -5.140
  193   2HG   ARG  20          2HG       ARG  20 -10.522  -8.908  -5.236
  194   1HD   ARG  20          1HD       ARG  20 -10.688 -11.217  -4.178
  195   2HD   ARG  20          2HD       ARG  20  -9.856 -10.001  -3.210
  196    HE   ARG  20           HE       ARG  20 -12.683 -10.106  -2.583
  197   1HH1  ARG  20          1HH1      ARG  20 -10.520  -9.702  -0.560
  198   2HH1  ARG  20          2HH1      ARG  20 -10.530 -11.207   0.295
  199   1HH2  ARG  20          1HH2      ARG  20 -12.315 -12.891  -2.156
  200   2HH2  ARG  20          2HH2      ARG  20 -11.546 -13.015  -0.610
  201    QB   ARG  20           QB       ARG  20 -11.746  -7.947  -3.127
  202    QG   ARG  20           QG       ARG  20 -11.336  -9.243  -5.188
  203    QD   ARG  20           QD       ARG  20 -10.272 -10.609  -3.694
  204    QH1  ARG  20           QH1      ARG  20 -10.525 -10.455  -0.132
  205    QH2  ARG  20           QH2      ARG  20 -11.931 -12.953  -1.383
  206    H    THR  21           H        THR  21 -13.629  -4.757  -4.420
  207    HA   THR  21           HA       THR  21 -16.077  -5.894  -3.419
  208    HB   THR  21           HB       THR  21 -16.253  -3.299  -4.828
  209    HG1  THR  21           HG1      THR  21 -14.314  -3.888  -2.889
  210   1HG2  THR  21          1HG2      THR  21 -17.681  -4.577  -2.900
  211   2HG2  THR  21          2HG2      THR  21 -16.641  -3.555  -1.907
  212   3HG2  THR  21          3HG2      THR  21 -17.689  -2.828  -3.124
  213    MG   THR  21           MG       THR  21 -17.337  -3.653  -2.644
  214    H    TYR  22           H        TYR  22 -15.275  -4.490  -6.620
  215    HA   TYR  22           HA       TYR  22 -16.652  -6.514  -8.086
  216   1HB   TYR  22          1HB       TYR  22 -18.479  -4.750  -8.894
  217   2HB   TYR  22          2HB       TYR  22 -18.772  -5.793  -7.506
  218    HD1  TYR  22           HD1      TYR  22 -16.372  -2.962  -7.472
  219    HD2  TYR  22           HD2      TYR  22 -20.291  -4.320  -6.354
  220    HE1  TYR  22           HE1      TYR  22 -16.650  -0.968  -6.028
  221    HE2  TYR  22           HE2      TYR  22 -20.569  -2.324  -4.909
  222    HH   TYR  22           HH       TYR  22 -19.335  -0.653  -3.828
  223    QB   TYR  22           QB       TYR  22 -18.626  -5.271  -8.200
  224    QD   TYR  22           QD       TYR  22 -18.331  -3.641  -6.913
  225    QE   TYR  22           QE       TYR  22 -18.609  -1.646  -5.468
  226    QR   TYR  22           QR       TYR  22 -18.470  -2.644  -6.191
  227    H    ALA  23           H        ALA  23 -17.324  -3.308  -9.192
  228    HA   ALA  23           HA       ALA  23 -16.539  -2.448 -11.293
  229   1HB   ALA  23          1HB       ALA  23 -14.669  -2.007  -9.029
  230   2HB   ALA  23          3HB       ALA  23 -15.615  -0.837  -9.950
  231   3HB   ALA  23          2HB       ALA  23 -14.135  -1.507 -10.634
  232    MB   ALA  23           MB       ALA  23 -14.806  -1.450  -9.871
  233    H    ASP  24           H        ASP  24 -13.400  -3.399 -10.201
  234    HA   ASP  24           HA       ASP  24 -12.525  -4.333 -12.737
  235   1HB   ASP  24          2HB       ASP  24 -10.632  -5.339 -11.516
  236   2HB   ASP  24          1HB       ASP  24 -11.498  -5.131  -9.993
  237    QB   ASP  24           QB       ASP  24 -11.065  -5.235 -10.755
  238    H    VAL  25           H        VAL  25 -13.188  -6.366  -9.856
  239    HA   VAL  25           HA       VAL  25 -13.221  -8.841 -11.205
  240    HB   VAL  25           HB       VAL  25 -15.072  -8.161  -8.910
  241   1HG1  VAL  25          1HG1      VAL  25 -15.122 -10.434 -10.067
  242   2HG1  VAL  25          2HG1      VAL  25 -13.480 -10.673  -9.468
  243   3HG1  VAL  25          3HG1      VAL  25 -14.812 -10.470  -8.331
  244   1HG2  VAL  25          1HG2      VAL  25 -12.156  -8.028  -9.055
  245   2HG2  VAL  25          2HG2      VAL  25 -13.236  -7.503  -7.763
  246   3HG2  VAL  25          3HG2      VAL  25 -12.708  -9.184  -7.843
  247    MG1  VAL  25           MG1      VAL  25 -14.471 -10.526  -9.288
  248    MG2  VAL  25           MG2      VAL  25 -12.700  -8.239  -8.220
  249    QG   VAL  25           QG       VAL  25 -13.585  -9.382  -8.754
  250    H    ARG  26           H        ARG  26 -15.650  -6.320 -11.049
  251    HA   ARG  26           HA       ARG  26 -17.893  -7.867 -11.932
  252   1HB   ARG  26          1HB       ARG  26 -17.626  -5.319 -11.100
  253   2HB   ARG  26          2HB       ARG  26 -17.655  -5.042 -12.843
  254   1HG   ARG  26          1HG       ARG  26 -19.681  -6.963 -12.202
  255   2HG   ARG  26          2HG       ARG  26 -19.862  -5.580 -11.121
  256   1HD   ARG  26          2HD       ARG  26 -19.591  -4.133 -13.249
  257   2HD   ARG  26          1HD       ARG  26 -21.124  -4.975 -13.024
  258    HE   ARG  26           HE       ARG  26 -19.413  -6.687 -14.507
  259   1HH1  ARG  26          1HH1      ARG  26 -19.667  -3.438 -15.131
  260   2HH1  ARG  26          2HH1      ARG  26 -20.442  -3.595 -16.672
  261   1HH2  ARG  26          1HH2      ARG  26 -21.004  -7.001 -16.339
  262   2HH2  ARG  26          2HH2      ARG  26 -21.202  -5.611 -17.355
  263    QB   ARG  26           QB       ARG  26 -17.640  -5.180 -11.972
  264    QG   ARG  26           QG       ARG  26 -19.771  -6.271 -11.661
  265    QD   ARG  26           QD       ARG  26 -20.357  -4.554 -13.136
  266    QH1  ARG  26           QH1      ARG  26 -20.055  -3.517 -15.902
  267    QH2  ARG  26           QH2      ARG  26 -21.103  -6.306 -16.847
  268    H    ASP  27           H        ASP  27 -15.487  -5.946 -13.742
  269    HA   ASP  27           HA       ASP  27 -16.603  -6.602 -16.327
  270   1HB   ASP  27          2HB       ASP  27 -14.503  -5.670 -17.219
  271   2HB   ASP  27          1HB       ASP  27 -13.800  -5.690 -15.601
  272    QB   ASP  27           QB       ASP  27 -14.152  -5.680 -16.410
  273    H    GLU  28           H        GLU  28 -14.462  -8.224 -14.121
  274    HA   GLU  28           HA       GLU  28 -13.172  -9.944 -16.028
  275   1HB   GLU  28          1HB       GLU  28 -12.873  -9.527 -13.348
  276   2HB   GLU  28          2HB       GLU  28 -13.746 -11.060 -13.341
  277   1HG   GLU  28          1HG       GLU  28 -12.045 -11.859 -15.088
  278   2HG   GLU  28          2HG       GLU  28 -11.099 -10.434 -14.656
  279    QB   GLU  28           QB       GLU  28 -13.310 -10.294 -13.345
  280    QG   GLU  28           QG       GLU  28 -11.572 -11.146 -14.872
  281    H    ILE  29           H        ILE  29 -16.278 -10.056 -14.351
  282    HA   ILE  29           HA       ILE  29 -16.833 -12.774 -15.259
  283    HB   ILE  29           HB       ILE  29 -18.883 -10.754 -14.341
  284   1HG1  ILE  29          1HG1      ILE  29 -17.401 -12.638 -12.506
  285   2HG1  ILE  29          2HG1      ILE  29 -16.786 -11.016 -12.826
  286   1HG2  ILE  29          1HG2      ILE  29 -18.678 -13.777 -14.307
  287   2HG2  ILE  29          2HG2      ILE  29 -19.915 -12.883 -13.424
  288   3HG2  ILE  29          3HG2      ILE  29 -19.849 -12.791 -15.184
  289   1HD1  ILE  29          1HD1      ILE  29 -19.657 -11.397 -12.019
  290   2HD1  ILE  29          2HD1      ILE  29 -18.392 -11.388 -10.790
  291   3HD1  ILE  29          3HD1      ILE  29 -18.629  -9.978 -11.824
  292    MG   ILE  29           MG       ILE  29 -19.481 -13.150 -14.305
  293    MD   ILE  29           MD       ILE  29 -18.893 -10.921 -11.544
  294    QG   ILE  29           QG       ILE  29 -17.093 -11.827 -12.666
  295    H    ASN  30           H        ASN  30 -16.232 -10.509 -17.208
  296    HA   ASN  30           HA       ASN  30 -18.644 -10.763 -18.918
  297   1HB   ASN  30          1HB       ASN  30 -16.385  -8.739 -18.938
  298   2HB   ASN  30          2HB       ASN  30 -17.646  -8.820 -20.169
  299   2HD2  ASN  30          1HD2      ASN  30 -17.411  -8.710 -16.561
  300   1HD2  ASN  30          2HD2      ASN  30 -18.739  -7.671 -16.365
  301    QB   ASN  30           QB       ASN  30 -17.015  -8.779 -19.553
  302    QD   ASN  30           QD       ASN  30 -18.075  -8.190 -16.463
  303    H    LYS  31           H        LYS  31 -15.112 -10.368 -19.403
  304    HA   LYS  31           HA       LYS  31 -15.225 -12.052 -21.795
  305   1HB   LYS  31          1HB       LYS  31 -13.639 -10.023 -21.277
  306   2HB   LYS  31          2HB       LYS  31 -12.669 -11.234 -20.437
  307   1HG   LYS  31          1HG       LYS  31 -12.951 -12.623 -22.632
  308   2HG   LYS  31          2HG       LYS  31 -13.365 -11.070 -23.361
  309   1HD   LYS  31          1HD       LYS  31 -11.084 -10.563 -21.799
  310   2HD   LYS  31          2HD       LYS  31 -10.758 -12.096 -22.608
  311   1HE   LYS  31          1HE       LYS  31 -10.967 -11.160 -24.748
  312   2HE   LYS  31          2HE       LYS  31 -11.899  -9.784 -24.158
  313   1HZ   LYS  31          1HZ       LYS  31  -9.855  -9.093 -22.935
  314   2HZ   LYS  31          2HZ       LYS  31  -9.004 -10.298 -23.777
  315   3HZ   LYS  31          3HZ       LYS  31  -9.722  -9.019 -24.628
  316    QB   LYS  31           QB       LYS  31 -13.154 -10.629 -20.857
  317    QD   LYS  31           QD       LYS  31 -10.921 -11.330 -22.203
  318    QG   LYS  31           QG       LYS  31 -13.158 -11.847 -22.996
  319    QE   LYS  31           QE       LYS  31 -11.433 -10.472 -24.453
  320    QZ   LYS  31           QZ       LYS  31  -9.527  -9.470 -23.780
  321    H    ARG  32           H        ARG  32 -14.743 -12.550 -18.408
  322    HA   ARG  32           HA       ARG  32 -13.962 -14.410 -17.193
  323   1HB   ARG  32          1HB       ARG  32 -16.128 -15.163 -18.337
  324   2HB   ARG  32          2HB       ARG  32 -15.099 -15.979 -19.515
  325   1HG   ARG  32          2HG       ARG  32 -13.978 -16.776 -17.132
  326   2HG   ARG  32          1HG       ARG  32 -15.141 -17.722 -18.062
  327   1HD   ARG  32          1HD       ARG  32 -15.543 -16.123 -15.574
  328   2HD   ARG  32          2HD       ARG  32 -16.870 -16.158 -16.736
  329    HE   ARG  32           HE       ARG  32 -16.685 -18.706 -16.560
  330   1HH1  ARG  32          1HH1      ARG  32 -14.264 -18.405 -14.668
  331   2HH1  ARG  32          2HH1      ARG  32 -15.013 -18.743 -13.144
  332   1HH2  ARG  32          1HH2      ARG  32 -18.243 -18.350 -14.343
  333   2HH2  ARG  32          2HH2      ARG  32 -17.265 -18.711 -12.959
  334    QB   ARG  32           QB       ARG  32 -15.613 -15.571 -18.926
  335    QG   ARG  32           QG       ARG  32 -14.560 -17.249 -17.597
  336    QD   ARG  32           QD       ARG  32 -16.206 -16.141 -16.155
  337    QH1  ARG  32           QH1      ARG  32 -14.638 -18.574 -13.906
  338    QH2  ARG  32           QH2      ARG  32 -17.754 -18.530 -13.651
  339    H    GLY  33           H        GLY  33 -11.990 -13.275 -18.972
  340   1HA   GLY  33          1HA       GLY  33  -9.870 -13.819 -19.815
  341   2HA   GLY  33          2HA       GLY  33 -10.028 -15.342 -18.939
  342    QA   GLY  33           QA       GLY  33  -9.949 -14.581 -19.377
  343    H    ARG  34           H        ARG  34  -9.674 -14.074 -21.985
  344    HA   ARG  34           HA       ARG  34 -10.401 -16.655 -23.211
  345   1HB   ARG  34          1HB       ARG  34 -12.089 -14.317 -23.422
  346   2HB   ARG  34          2HB       ARG  34 -11.448 -14.747 -25.008
  347   1HG   ARG  34          1HG       ARG  34 -12.372 -16.915 -24.929
  348   2HG   ARG  34          2HG       ARG  34 -12.605 -16.847 -23.182
  349   1HD   ARG  34          1HD       ARG  34 -14.286 -15.018 -23.537
  350   2HD   ARG  34          2HD       ARG  34 -14.124 -15.266 -25.275
  351    HE   ARG  34           HE       ARG  34 -14.710 -17.792 -24.263
  352   1HH1  ARG  34          1HH1      ARG  34 -16.411 -15.655 -25.893
  353   2HH1  ARG  34          2HH1      ARG  34 -17.900 -15.779 -25.019
  354   1HH2  ARG  34          1HH2      ARG  34 -16.504 -17.525 -22.367
  355   2HH2  ARG  34          2HH2      ARG  34 -17.953 -16.837 -23.021
  356    QB   ARG  34           QB       ARG  34 -11.768 -14.532 -24.215
  357    QG   ARG  34           QG       ARG  34 -12.488 -16.881 -24.055
  358    QD   ARG  34           QD       ARG  34 -14.205 -15.142 -24.406
  359    QH1  ARG  34           QH1      ARG  34 -17.155 -15.717 -25.456
  360    QH2  ARG  34           QH2      ARG  34 -17.228 -17.181 -22.694

  No H/Q in entry =         360
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1 -14.224  19.840   1.518
    2    H2   MET   1           H2       MET   1 -15.540  18.904   0.984
    3    H3   MET   1           H3       MET   1 -15.742  20.564   1.272
    4    HA   MET   1           HA       MET   1 -15.445  20.291   3.606
    5   1HB   MET   1          1HB       MET   1 -17.693  19.797   2.598
    6   2HB   MET   1          2HB       MET   1 -17.256  18.087   2.578
    7   1HG   MET   1          1HG       MET   1 -16.647  18.805   5.166
    8   2HG   MET   1          2HG       MET   1 -18.073  19.788   4.837
    9   1HE   MET   1          1HE       MET   1 -19.667  19.296   5.813
   10   2HE   MET   1          2HE       MET   1 -20.831  18.199   5.059
   11   3HE   MET   1          3HE       MET   1 -20.074  17.769   6.589
   12    QB   MET   1           QB       MET   1 -17.475  18.942   2.588
   13    QG   MET   1           QG       MET   1 -17.360  19.296   5.001
   14    ME   MET   1           ME       MET   1 -20.190  18.421   5.820
   15    H    SER   2           H        SER   2 -15.812  16.904   2.517
   16    HA   SER   2           HA       SER   2 -13.301  15.884   3.097
   17   1HB   SER   2          1HB       SER   2 -13.846  15.061   5.547
   18   2HB   SER   2          2HB       SER   2 -13.145  16.657   5.285
   19    HG   SER   2           HG       SER   2 -15.644  15.928   6.175
   20    QB   SER   2           QB       SER   2 -13.496  15.859   5.416
   21    H    TRP   3           H        TRP   3 -14.361  14.535   1.446
   22    HA   TRP   3           HA       TRP   3 -16.653  12.911   2.004
   23   1HB   TRP   3          1HB       TRP   3 -14.455  11.961   0.183
   24   2HB   TRP   3          2HB       TRP   3 -16.201  11.832  -0.022
   25    HD1  TRP   3           HD1      TRP   3 -16.913  14.886   0.547
   26    HE1  TRP   3           HE1      TRP   3 -16.345  16.661  -1.233
   27    HE3  TRP   3           HE3      TRP   3 -13.311  12.387  -2.077
   28    HZ2  TRP   3           HZ2      TRP   3 -14.594  16.980  -3.474
   29    HZ3  TRP   3           HZ3      TRP   3 -12.214  13.448  -4.030
   30    HH2  TRP   3           HH2      TRP   3 -12.850  15.740  -4.731
   31    QB   TRP   3           QB       TRP   3 -15.328  11.897   0.081
   32    H    ALA   4           H        ALA   4 -15.335  10.324   1.249
   33    HA   ALA   4           HA       ALA   4 -14.556   9.550   4.004
   34   1HB   ALA   4          2HB       ALA   4 -14.695   7.577   1.761
   35   2HB   ALA   4          1HB       ALA   4 -16.204   8.300   2.314
   36   3HB   ALA   4          3HB       ALA   4 -15.194   7.397   3.443
   37    MB   ALA   4           MB       ALA   4 -15.364   7.758   2.506
   38    H    LEU   5           H        LEU   5 -12.764  11.091   2.128
   39    HA   LEU   5           HA       LEU   5 -10.686   9.218   1.316
   40   1HB   LEU   5          1HB       LEU   5 -11.092  12.162   1.246
   41   2HB   LEU   5          2HB       LEU   5  -9.420  11.602   1.276
   42    HG   LEU   5           HG       LEU   5 -11.520  10.611  -0.672
   43   1HD1  LEU   5          1HD1      LEU   5  -9.518  12.837  -0.787
   44   2HD1  LEU   5          2HD1      LEU   5  -9.823  11.904  -2.252
   45   3HD1  LEU   5          3HD1      LEU   5 -11.145  12.763  -1.461
   46   1HD2  LEU   5          1HD2      LEU   5  -9.248   9.348   0.138
   47   2HD2  LEU   5          2HD2      LEU   5  -9.927   9.184  -1.480
   48   3HD2  LEU   5          3HD2      LEU   5  -8.614  10.323  -1.186
   49    MD1  LEU   5           MD1      LEU   5 -10.162  12.501  -1.500
   50    MD2  LEU   5           MD2      LEU   5  -9.263   9.619  -0.843
   51    QB   LEU   5           QB       LEU   5 -10.256  11.882   1.261
   52    QD   LEU   5           QD       LEU   5  -9.712  11.060  -1.171
   53    H    GLU   6           H        GLU   6 -11.521  10.816   4.246
   54    HA   GLU   6           HA       GLU   6  -8.871  10.964   5.390
   55   1HB   GLU   6          1HB       GLU   6 -10.755  12.267   6.294
   56   2HB   GLU   6          2HB       GLU   6 -11.577  10.774   6.751
   57   1HG   GLU   6          1HG       GLU   6  -8.930  10.652   7.806
   58   2HG   GLU   6          2HG       GLU   6  -9.597  12.231   8.223
   59    QB   GLU   6           QB       GLU   6 -11.166  11.521   6.522
   60    QG   GLU   6           QG       GLU   6  -9.264  11.442   8.014
   61    H    MET   7           H        MET   7 -11.558   8.720   6.175
   62    HA   MET   7           HA       MET   7  -9.745   6.848   7.460
   63   1HB   MET   7          1HB       MET   7 -12.152   7.120   8.094
   64   2HB   MET   7          2HB       MET   7 -12.604   6.421   6.540
   65   1HG   MET   7          1HG       MET   7 -11.070   4.442   7.230
   66   2HG   MET   7          2HG       MET   7 -11.209   5.099   8.860
   67   1HE   MET   7          1HE       MET   7 -12.244   3.166   6.217
   68   2HE   MET   7          2HE       MET   7 -12.801   2.006   7.419
   69   3HE   MET   7          3HE       MET   7 -13.955   2.760   6.311
   70    QB   MET   7           QB       MET   7 -12.378   6.771   7.317
   71    QG   MET   7           QG       MET   7 -11.139   4.770   8.045
   72    ME   MET   7           ME       MET   7 -13.000   2.644   6.649
   73    H    ALA   8           H        ALA   8 -11.456   6.955   4.344
   74    HA   ALA   8           HA       ALA   8 -10.646   4.370   3.437
   75   1HB   ALA   8          1HB       ALA   8 -12.459   5.849   2.449
   76   2HB   ALA   8          2HB       ALA   8 -11.170   6.769   1.673
   77   3HB   ALA   8          3HB       ALA   8 -11.399   5.067   1.275
   78    MB   ALA   8           MB       ALA   8 -11.676   5.895   1.799
   79    H    ASP   9           H        ASP   9  -8.951   7.483   3.350
   80    HA   ASP   9           HA       ASP   9  -7.030   6.665   1.377
   81   1HB   ASP   9          1HB       ASP   9  -7.373   9.025   1.868
   82   2HB   ASP   9          2HB       ASP   9  -6.849   8.789   3.536
   83    QB   ASP   9           QB       ASP   9  -7.111   8.907   2.702
   84    H    THR  10           H        THR  10  -6.961   6.552   4.961
   85    HA   THR  10           HA       THR  10  -4.254   5.468   5.048
   86    HB   THR  10           HB       THR  10  -6.085   4.996   7.341
   87    HG1  THR  10           HG1      THR  10  -5.756   7.314   7.827
   88   1HG2  THR  10          1HG2      THR  10  -3.263   5.567   6.773
   89   2HG2  THR  10          2HG2      THR  10  -3.898   6.466   8.151
   90   3HG2  THR  10          3HG2      THR  10  -3.984   4.704   8.132
   91    MG   THR  10           MG       THR  10  -3.715   5.579   7.685
   92    H    PHE  11           H        PHE  11  -5.463   3.899   3.265
   93    HA   PHE  11           HA       PHE  11  -5.080   1.251   4.027
   94   1HB   PHE  11          1HB       PHE  11  -7.301   1.969   5.338
   95   2HB   PHE  11          2HB       PHE  11  -8.045   1.718   3.764
   96    HD1  PHE  11           HD1      PHE  11  -5.432  -0.014   5.840
   97    HD2  PHE  11           HD2      PHE  11  -9.006  -0.369   3.484
   98    HE1  PHE  11           HE1      PHE  11  -5.463  -2.459   6.253
   99    HE2  PHE  11           HE2      PHE  11  -9.039  -2.814   3.899
  100    HZ   PHE  11           HZ       PHE  11  -7.267  -3.859   5.284
  101    QB   PHE  11           QB       PHE  11  -7.673   1.844   4.551
  102    QD   PHE  11           QD       PHE  11  -7.219  -0.192   4.662
  103    QE   PHE  11           QE       PHE  11  -7.251  -2.636   5.076
  104    QR   PHE  11           QR       PHE  11  -7.241  -1.903   4.952
  105    H    LEU  12           H        LEU  12  -7.763   2.811   2.309
  106    HA   LEU  12           HA       LEU  12  -7.120   1.510  -0.218
  107   1HB   LEU  12          1HB       LEU  12  -9.262   3.231   0.869
  108   2HB   LEU  12          2HB       LEU  12  -8.917   3.478  -0.844
  109    HG   LEU  12           HG       LEU  12  -9.112   1.008  -1.198
  110   1HD1  LEU  12          1HD1      LEU  12  -9.901   1.095   1.726
  111   2HD1  LEU  12          2HD1      LEU  12 -10.218  -0.283   0.670
  112   3HD1  LEU  12          3HD1      LEU  12  -8.557   0.205   1.012
  113   1HD2  LEU  12          1HD2      LEU  12 -11.205   2.889  -0.604
  114   2HD2  LEU  12          2HD2      LEU  12 -11.235   1.538  -1.739
  115   3HD2  LEU  12          3HD2      LEU  12 -11.705   1.289  -0.057
  116    MD1  LEU  12           MD1      LEU  12  -9.559   0.339   1.136
  117    MD2  LEU  12           MD2      LEU  12 -11.381   1.905  -0.800
  118    QB   LEU  12           QB       LEU  12  -9.089   3.354   0.012
  119    QD   LEU  12           QD       LEU  12 -10.470   1.122   0.168
  120    H    ASP  13           H        ASP  13  -5.294   3.703   1.193
  121    HA   ASP  13           HA       ASP  13  -5.153   6.087  -0.126
  122   1HB   ASP  13          1HB       ASP  13  -2.531   5.578  -0.130
  123   2HB   ASP  13          2HB       ASP  13  -3.418   5.876   1.365
  124    QB   ASP  13           QB       ASP  13  -2.974   5.727   0.617
  125    H    ASN  14           H        ASN  14  -3.301   3.269  -1.418
  126    HA   ASN  14           HA       ASN  14  -3.439   4.609  -4.073
  127   1HB   ASN  14          2HB       ASN  14  -1.208   3.879  -3.115
  128   2HB   ASN  14          1HB       ASN  14  -1.567   3.259  -4.728
  129   2HD2  ASN  14          1HD2      ASN  14  -1.811   0.975  -4.970
  130   1HD2  ASN  14          2HD2      ASN  14  -1.619  -0.118  -3.686
  131    QB   ASN  14           QB       ASN  14  -1.388   3.569  -3.922
  132    QD   ASN  14           QD       ASN  14  -1.715   0.428  -4.328
  133    H    MET  15           H        MET  15  -5.635   3.065  -2.808
  134    HA   MET  15           HA       MET  15  -6.165   1.286  -5.113
  135   1HB   MET  15          1HB       MET  15  -5.783   0.429  -2.321
  136   2HB   MET  15          2HB       MET  15  -7.294  -0.131  -3.038
  137   1HG   MET  15          1HG       MET  15  -4.992  -0.375  -4.845
  138   2HG   MET  15          2HG       MET  15  -4.838  -1.344  -3.379
  139   1HE   MET  15          1HE       MET  15  -5.848  -2.956  -2.664
  140   2HE   MET  15          2HE       MET  15  -7.597  -3.137  -2.772
  141   3HE   MET  15          3HE       MET  15  -6.549  -4.213  -3.692
  142    QB   MET  15           QB       MET  15  -6.538   0.149  -2.679
  143    QG   MET  15           QG       MET  15  -4.915  -0.860  -4.112
  144    ME   MET  15           ME       MET  15  -6.665  -3.435  -3.043
  145    H    ARG  16           H        ARG  16  -7.558   3.147  -5.637
  146    HA   ARG  16           HA       ARG  16  -9.533   4.303  -4.075
  147   1HB   ARG  16          1HB       ARG  16  -8.959   4.733  -6.550
  148   2HB   ARG  16          2HB       ARG  16 -10.111   3.443  -6.901
  149   1HG   ARG  16          1HG       ARG  16 -11.145   5.398  -4.979
  150   2HG   ARG  16          2HG       ARG  16 -10.757   6.112  -6.545
  151   1HD   ARG  16          1HD       ARG  16 -12.460   3.633  -6.155
  152   2HD   ARG  16          2HD       ARG  16 -13.095   5.252  -6.449
  153    HE   ARG  16           HE       ARG  16 -11.564   5.036  -8.612
  154   1HH1  ARG  16          1HH1      ARG  16 -14.007   3.076  -7.266
  155   2HH1  ARG  16          2HH1      ARG  16 -14.050   1.959  -8.590
  156   1HH2  ARG  16          1HH2      ARG  16 -11.351   3.388 -10.230
  157   2HH2  ARG  16          2HH2      ARG  16 -12.547   2.136 -10.266
  158    QB   ARG  16           QB       ARG  16  -9.535   4.088  -6.726
  159    QG   ARG  16           QG       ARG  16 -10.951   5.755  -5.762
  160    QD   ARG  16           QD       ARG  16 -12.778   4.442  -6.302
  161    QH1  ARG  16           QH1      ARG  16 -14.029   2.517  -7.928
  162    QH2  ARG  16           QH2      ARG  16 -11.949   2.762 -10.248
  163    H    VAL  17           H        VAL  17 -10.034   1.470  -6.116
  164    HA   VAL  17           HA       VAL  17 -12.626   0.858  -5.051
  165    HB   VAL  17           HB       VAL  17 -11.804   0.071  -7.268
  166   1HG1  VAL  17          1HG1      VAL  17  -9.499  -0.523  -6.143
  167   2HG1  VAL  17          2HG1      VAL  17 -10.273  -2.075  -5.823
  168   3HG1  VAL  17          3HG1      VAL  17 -10.091  -1.506  -7.482
  169   1HG2  VAL  17          1HG2      VAL  17 -13.626  -1.099  -5.828
  170   2HG2  VAL  17          2HG2      VAL  17 -12.949  -1.995  -7.189
  171   3HG2  VAL  17          3HG2      VAL  17 -12.400  -2.337  -5.548
  172    MG1  VAL  17           MG1      VAL  17  -9.954  -1.368  -6.483
  173    MG2  VAL  17           MG2      VAL  17 -12.992  -1.810  -6.188
  174    QG   VAL  17           QG       VAL  17 -11.473  -1.589  -6.335
  175    H    GLY  18           H        GLY  18  -9.441   0.203  -3.944
  176   1HA   GLY  18          1HA       GLY  18  -8.637  -1.003  -2.093
  177   2HA   GLY  18          2HA       GLY  18 -10.226  -0.708  -1.387
  178    QA   GLY  18           QA       GLY  18  -9.432  -0.855  -1.740
  179   1HB   PRO  19          1HB       PRO  19  -9.076  -6.251  -0.116
  180   2HB   PRO  19          2HB       PRO  19  -7.853  -5.757  -1.300
  181   1HG   PRO  19          2HG       PRO  19  -7.164  -4.296   0.353
  182   2HG   PRO  19          1HG       PRO  19  -8.723  -4.367   1.193
  183   1HD   PRO  19          1HD       PRO  19  -9.194  -2.330   0.233
  184   2HD   PRO  19          2HD       PRO  19  -7.795  -2.449  -0.855
  185    QB   PRO  19           QB       PRO  19  -8.465  -6.004  -0.708
  186    QG   PRO  19           QG       PRO  19  -7.944  -4.331   0.773
  187    QD   PRO  19           QD       PRO  19  -8.495  -2.389  -0.311
  188    H    ARG  20           H        ARG  20 -11.465  -6.623  -2.356
  189    HA   ARG  20           HA       ARG  20 -13.517  -5.769  -0.354
  190   1HB   ARG  20          1HB       ARG  20 -13.816  -7.040  -3.090
  191   2HB   ARG  20          2HB       ARG  20 -15.150  -6.864  -1.948
  192   1HG   ARG  20          1HG       ARG  20 -14.741  -4.408  -1.891
  193   2HG   ARG  20          2HG       ARG  20 -13.481  -4.612  -3.108
  194   1HD   ARG  20          2HD       ARG  20 -15.600  -5.957  -4.241
  195   2HD   ARG  20          1HD       ARG  20 -15.147  -4.294  -4.614
  196    HE   ARG  20           HE       ARG  20 -17.255  -5.045  -2.629
  197   1HH1  ARG  20          1HH1      ARG  20 -15.965  -2.288  -2.470
  198   2HH1  ARG  20          2HH1      ARG  20 -17.087  -1.340  -3.389
  199   1HH2  ARG  20          1HH2      ARG  20 -18.619  -4.085  -4.849
  200   2HH2  ARG  20          2HH2      ARG  20 -18.589  -2.357  -4.733
  201    QB   ARG  20           QB       ARG  20 -14.483  -6.952  -2.519
  202    QG   ARG  20           QG       ARG  20 -14.111  -4.510  -2.499
  203    QD   ARG  20           QD       ARG  20 -15.374  -5.125  -4.428
  204    QH1  ARG  20           QH1      ARG  20 -16.526  -1.814  -2.930
  205    QH2  ARG  20           QH2      ARG  20 -18.604  -3.221  -4.791
  206    H    THR  21           H        THR  21 -11.411  -8.288  -1.276
  207    HA   THR  21           HA       THR  21 -12.982 -10.219   0.387
  208    HB   THR  21           HB       THR  21 -12.003 -12.019  -0.896
  209    HG1  THR  21           HG1      THR  21 -10.641 -11.281  -2.743
  210   1HG2  THR  21          1HG2      THR  21 -13.008  -9.742  -2.617
  211   2HG2  THR  21          2HG2      THR  21 -12.777 -11.383  -3.217
  212   3HG2  THR  21          3HG2      THR  21 -13.953 -11.069  -1.941
  213    MG   THR  21           MG       THR  21 -13.246 -10.731  -2.592
  214    H    TYR  22           H        TYR  22 -10.992 -12.084   0.850
  215    HA   TYR  22           HA       TYR  22  -8.542 -10.816   1.766
  216   1HB   TYR  22          1HB       TYR  22 -10.648 -10.415   3.457
  217   2HB   TYR  22          2HB       TYR  22  -9.984 -11.920   4.094
  218    HD1  TYR  22           HD1      TYR  22  -8.870  -8.545   2.888
  219    HD2  TYR  22           HD2      TYR  22  -8.179 -11.826   5.572
  220    HE1  TYR  22           HE1      TYR  22  -7.021  -7.281   3.954
  221    HE2  TYR  22           HE2      TYR  22  -6.328 -10.564   6.638
  222    HH   TYR  22           HH       TYR  22  -4.709  -8.378   5.509
  223    QB   TYR  22           QB       TYR  22 -10.316 -11.168   3.775
  224    QD   TYR  22           QD       TYR  22  -8.524 -10.185   4.230
  225    QE   TYR  22           QE       TYR  22  -6.674  -8.922   5.296
  226    QR   TYR  22           QR       TYR  22  -7.599  -9.554   4.763
  227    H    ALA  23           H        ALA  23 -10.653 -13.611   2.621
  228    HA   ALA  23           HA       ALA  23  -8.756 -15.450   3.347
  229   1HB   ALA  23          1HB       ALA  23 -11.298 -15.696   1.821
  230   2HB   ALA  23          2HB       ALA  23 -10.246 -17.110   1.885
  231   3HB   ALA  23          3HB       ALA  23 -10.855 -16.397   3.378
  232    MB   ALA  23           MB       ALA  23 -10.800 -16.401   2.361
  233    H    ASP  24           H        ASP  24  -9.473 -14.485   0.069
  234    HA   ASP  24           HA       ASP  24  -7.553 -16.324  -1.116
  235   1HB   ASP  24          1HB       ASP  24  -9.681 -14.884  -2.098
  236   2HB   ASP  24          2HB       ASP  24  -8.302 -13.972  -2.715
  237    QB   ASP  24           QB       ASP  24  -8.992 -14.428  -2.407
  238    H    VAL  25           H        VAL  25  -7.622 -12.748  -0.780
  239    HA   VAL  25           HA       VAL  25  -5.121 -12.099  -1.767
  240    HB   VAL  25           HB       VAL  25  -6.434 -11.052   0.760
  241   1HG1  VAL  25          1HG1      VAL  25  -4.171  -9.896  -0.899
  242   2HG1  VAL  25          2HG1      VAL  25  -4.975  -9.076   0.439
  243   3HG1  VAL  25          3HG1      VAL  25  -4.029 -10.534   0.739
  244   1HG2  VAL  25          1HG2      VAL  25  -7.242 -10.882  -1.886
  245   2HG2  VAL  25          2HG2      VAL  25  -7.710  -9.765  -0.604
  246   3HG2  VAL  25          3HG2      VAL  25  -6.346  -9.382  -1.653
  247    MG1  VAL  25           MG1      VAL  25  -4.391  -9.835   0.093
  248    MG2  VAL  25           MG2      VAL  25  -7.099 -10.010  -1.381
  249    QG   VAL  25           QG       VAL  25  -5.745  -9.922  -0.644
  250    H    ARG  26           H        ARG  26  -5.722 -12.965   1.651
  251    HA   ARG  26           HA       ARG  26  -2.960 -13.222   2.337
  252   1HB   ARG  26          1HB       ARG  26  -5.158 -13.128   3.823
  253   2HB   ARG  26          2HB       ARG  26  -5.032 -14.884   3.716
  254   1HG   ARG  26          2HG       ARG  26  -2.495 -14.406   4.322
  255   2HG   ARG  26          1HG       ARG  26  -3.720 -14.498   5.588
  256   1HD   ARG  26          1HD       ARG  26  -2.036 -12.423   5.401
  257   2HD   ARG  26          2HD       ARG  26  -3.273 -11.847   4.284
  258    HE   ARG  26           HE       ARG  26  -4.900 -12.252   6.239
  259   1HH1  ARG  26          1HH1      ARG  26  -2.114 -13.073   7.642
  260   2HH1  ARG  26          2HH1      ARG  26  -2.022 -11.768   8.777
  261   1HH2  ARG  26          1HH2      ARG  26  -4.545  -9.927   7.274
  262   2HH2  ARG  26          2HH2      ARG  26  -3.392  -9.988   8.566
  263    QB   ARG  26           QB       ARG  26  -5.095 -14.006   3.770
  264    QG   ARG  26           QG       ARG  26  -3.108 -14.452   4.955
  265    QD   ARG  26           QD       ARG  26  -2.654 -12.135   4.842
  266    QH1  ARG  26           QH1      ARG  26  -2.068 -12.421   8.209
  267    QH2  ARG  26           QH2      ARG  26  -3.969  -9.957   7.920
  268    H    ASP  27           H        ASP  27  -5.308 -15.521   1.002
  269    HA   ASP  27           HA       ASP  27  -3.796 -17.900   1.420
  270   1HB   ASP  27          1HB       ASP  27  -6.171 -17.834   0.622
  271   2HB   ASP  27          2HB       ASP  27  -5.588 -17.278  -0.947
  272    QB   ASP  27           QB       ASP  27  -5.880 -17.556  -0.162
  273    H    GLU  28           H        GLU  28  -3.397 -15.281  -0.847
  274    HA   GLU  28           HA       GLU  28  -1.832 -16.626  -2.823
  275   1HB   GLU  28          1HB       GLU  28  -2.073 -13.778  -1.894
  276   2HB   GLU  28          2HB       GLU  28  -0.767 -14.211  -2.996
  277   1HG   GLU  28          1HG       GLU  28  -2.259 -14.891  -4.692
  278   2HG   GLU  28          2HG       GLU  28  -3.613 -15.024  -3.570
  279    QB   GLU  28           QB       GLU  28  -1.420 -13.995  -2.445
  280    QG   GLU  28           QG       GLU  28  -2.936 -14.957  -4.131
  281    H    ILE  29           H        ILE  29  -1.041 -15.334   0.355
  282    HA   ILE  29           HA       ILE  29   1.796 -15.457   0.066
  283    HB   ILE  29           HB       ILE  29   0.512 -14.266   1.893
  284   1HG1  ILE  29          1HG1      ILE  29   2.718 -16.165   2.762
  285   2HG1  ILE  29          2HG1      ILE  29   2.973 -14.609   1.970
  286   1HG2  ILE  29          1HG2      ILE  29  -0.553 -16.787   2.298
  287   2HG2  ILE  29          2HG2      ILE  29   0.615 -16.644   3.611
  288   3HG2  ILE  29          3HG2      ILE  29  -0.664 -15.443   3.433
  289   1HD1  ILE  29          1HD1      ILE  29   1.790 -13.489   3.849
  290   2HD1  ILE  29          2HD1      ILE  29   1.623 -15.051   4.650
  291   3HD1  ILE  29          3HD1      ILE  29   3.225 -14.359   4.393
  292    MG   ILE  29           MG       ILE  29  -0.201 -16.291   3.114
  293    MD   ILE  29           MD       ILE  29   2.213 -14.300   4.297
  294    QG   ILE  29           QG       ILE  29   2.845 -15.387   2.366
  295    H    ASN  30           H        ASN  30  -0.150 -18.011  -0.273
  296    HA   ASN  30           HA       ASN  30   1.454 -19.911   1.295
  297   1HB   ASN  30          1HB       ASN  30  -0.927 -20.359   1.223
  298   2HB   ASN  30          2HB       ASN  30  -0.924 -20.295  -0.540
  299   2HD2  ASN  30          1HD2      ASN  30  -0.739 -22.440   2.076
  300   1HD2  ASN  30          2HD2      ASN  30  -0.077 -23.773   1.258
  301    QB   ASN  30           QB       ASN  30  -0.926 -20.327   0.341
  302    QD   ASN  30           QD       ASN  30  -0.408 -23.106   1.667
  303    H    LYS  31           H        LYS  31   0.458 -19.692  -2.146
  304    HA   LYS  31           HA       LYS  31   2.754 -21.334  -2.930
  305   1HB   LYS  31          2HB       LYS  31   1.881 -21.132  -5.183
  306   2HB   LYS  31          1HB       LYS  31   0.825 -19.804  -4.699
  307   1HG   LYS  31          1HG       LYS  31   0.644 -22.491  -3.342
  308   2HG   LYS  31          2HG       LYS  31  -0.578 -21.222  -3.446
  309   1HD   LYS  31          2HD       LYS  31  -0.015 -21.855  -6.109
  310   2HD   LYS  31          1HD       LYS  31  -1.443 -22.349  -5.198
  311   1HE   LYS  31          1HE       LYS  31  -0.182 -24.258  -6.268
  312   2HE   LYS  31          2HE       LYS  31   1.168 -23.889  -5.195
  313   1HZ   LYS  31          1HZ       LYS  31  -0.613 -24.044  -3.363
  314   2HZ   LYS  31          2HZ       LYS  31  -1.516 -24.901  -4.519
  315   3HZ   LYS  31          3HZ       LYS  31   0.002 -25.481  -4.029
  316    QB   LYS  31           QB       LYS  31   1.353 -20.468  -4.941
  317    QD   LYS  31           QD       LYS  31  -0.729 -22.102  -5.654
  318    QG   LYS  31           QG       LYS  31   0.033 -21.856  -3.394
  319    QE   LYS  31           QE       LYS  31   0.493 -24.074  -5.732
  320    QZ   LYS  31           QZ       LYS  31  -0.709 -24.809  -3.970
  321    H    ARG  32           H        ARG  32   2.207 -17.971  -2.441
  322    HA   ARG  32           HA       ARG  32   4.320 -17.195  -4.355
  323   1HB   ARG  32          1HB       ARG  32   3.714 -14.952  -3.929
  324   2HB   ARG  32          2HB       ARG  32   2.184 -15.824  -3.861
  325   1HG   ARG  32          2HG       ARG  32   3.227 -15.969  -1.257
  326   2HG   ARG  32          1HG       ARG  32   1.880 -14.970  -1.802
  327   1HD   ARG  32          1HD       ARG  32   4.512 -14.149  -0.955
  328   2HD   ARG  32          2HD       ARG  32   4.245 -13.646  -2.623
  329    HE   ARG  32           HE       ARG  32   1.916 -12.993  -1.130
  330   1HH1  ARG  32          1HH1      ARG  32   5.245 -12.365  -0.693
  331   2HH1  ARG  32          2HH1      ARG  32   5.044 -10.661  -0.460
  332   1HH2  ARG  32          1HH2      ARG  32   1.645 -10.700  -1.142
  333   2HH2  ARG  32          2HH2      ARG  32   3.008  -9.718  -0.714
  334    QB   ARG  32           QB       ARG  32   2.949 -15.388  -3.895
  335    QG   ARG  32           QG       ARG  32   2.553 -15.470  -1.530
  336    QD   ARG  32           QD       ARG  32   4.378 -13.897  -1.789
  337    QH1  ARG  32           QH1      ARG  32   5.145 -11.513  -0.577
  338    QH2  ARG  32           QH2      ARG  32   2.327 -10.209  -0.928
  339    H    GLY  33           H        GLY  33   5.340 -18.929  -2.487
  340   1HA   GLY  33          1HA       GLY  33   6.474 -17.552  -0.198
  341   2HA   GLY  33          2HA       GLY  33   6.955 -19.144  -0.785
  342    QA   GLY  33           QA       GLY  33   6.714 -18.348  -0.492
  343    H    ARG  34           H        ARG  34   8.589 -19.278  -2.416
  344    HA   ARG  34           HA       ARG  34  10.303 -16.849  -2.539
  345   1HB   ARG  34          1HB       ARG  34  12.062 -18.432  -3.320
  346   2HB   ARG  34          2HB       ARG  34  11.401 -18.892  -1.749
  347   1HG   ARG  34          1HG       ARG  34  10.620 -20.849  -2.559
  348   2HG   ARG  34          2HG       ARG  34   9.865 -20.049  -3.939
  349   1HD   ARG  34          1HD       ARG  34  11.685 -21.707  -4.542
  350   2HD   ARG  34          2HD       ARG  34  11.922 -20.082  -5.186
  351    HE   ARG  34           HE       ARG  34  13.288 -20.016  -2.789
  352   1HH1  ARG  34          1HH1      ARG  34  13.265 -21.995  -5.618
  353   2HH1  ARG  34          2HH1      ARG  34  14.910 -22.502  -5.435
  354   1HH2  ARG  34          1HH2      ARG  34  15.420 -20.711  -2.510
  355   2HH2  ARG  34          2HH2      ARG  34  16.129 -21.778  -3.676
  356    QB   ARG  34           QB       ARG  34  11.732 -18.662  -2.534
  357    QG   ARG  34           QG       ARG  34  10.242 -20.449  -3.249
  358    QD   ARG  34           QD       ARG  34  11.804 -20.894  -4.864
  359    QH1  ARG  34           QH1      ARG  34  14.087 -22.249  -5.526
  360    QH2  ARG  34           QH2      ARG  34  15.775 -21.244  -3.093

  No H/Q in entry =         360
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1 -23.558   6.775   2.612
    2    H2   MET   1           H2       MET   1 -22.466   5.565   2.146
    3    H3   MET   1           H3       MET   1 -23.631   5.241   3.339
    4    HA   MET   1           HA       MET   1 -22.503   6.302   4.968
    5   1HB   MET   1          1HB       MET   1 -20.874   4.827   3.157
    6   2HB   MET   1          2HB       MET   1 -19.927   6.210   3.706
    7   1HG   MET   1          2HG       MET   1 -20.743   5.584   6.076
    8   2HG   MET   1          1HG       MET   1 -19.519   4.549   5.342
    9   1HE   MET   1          1HE       MET   1 -21.870   4.613   7.517
   10   2HE   MET   1          2HE       MET   1 -23.393   4.608   6.616
   11   3HE   MET   1          3HE       MET   1 -22.865   3.160   7.470
   12    QB   MET   1           QB       MET   1 -20.400   5.518   3.431
   13    QG   MET   1           QG       MET   1 -20.131   5.067   5.709
   14    ME   MET   1           ME       MET   1 -22.710   4.127   7.201
   15    H    SER   2           H        SER   2 -20.037   7.748   4.847
   16    HA   SER   2           HA       SER   2 -20.254  10.031   3.088
   17   1HB   SER   2          1HB       SER   2 -21.293  10.291   5.919
   18   2HB   SER   2          2HB       SER   2 -20.787  11.676   4.955
   19    HG   SER   2           HG       SER   2 -22.321  10.950   3.364
   20    QB   SER   2           QB       SER   2 -21.040  10.983   5.437
   21    H    TRP   3           H        TRP   3 -18.649  11.754   3.767
   22    HA   TRP   3           HA       TRP   3 -16.350  12.140   4.215
   23   1HB   TRP   3          1HB       TRP   3 -17.870  11.667   6.663
   24   2HB   TRP   3          2HB       TRP   3 -16.151  11.326   6.866
   25    HD1  TRP   3           HD1      TRP   3 -14.610  13.391   5.452
   26    HE1  TRP   3           HE1      TRP   3 -14.856  15.926   5.857
   27    HE3  TRP   3           HE3      TRP   3 -19.276  13.503   7.519
   28    HZ2  TRP   3           HZ2      TRP   3 -16.779  17.757   6.920
   29    HZ3  TRP   3           HZ3      TRP   3 -20.290  15.652   8.220
   30    HH2  TRP   3           HH2      TRP   3 -19.049  17.778   7.923
   31    QB   TRP   3           QB       TRP   3 -17.011  11.497   6.764
   32    H    ALA   4           H        ALA   4 -15.985   9.985   2.770
   33    HA   ALA   4           HA       ALA   4 -15.129   7.663   4.347
   34   1HB   ALA   4          1HB       ALA   4 -16.211   7.652   1.990
   35   2HB   ALA   4          2HB       ALA   4 -14.602   8.076   1.408
   36   3HB   ALA   4          3HB       ALA   4 -14.855   6.564   2.279
   37    MB   ALA   4           MB       ALA   4 -15.223   7.431   1.892
   38    H    LEU   5           H        LEU   5 -13.671  10.175   4.842
   39    HA   LEU   5           HA       LEU   5 -11.115  10.011   3.470
   40   1HB   LEU   5          1HB       LEU   5 -12.143  11.537   5.863
   41   2HB   LEU   5          2HB       LEU   5 -10.436  11.575   5.421
   42    HG   LEU   5           HG       LEU   5 -12.448  12.063   3.265
   43   1HD1  LEU   5          1HD1      LEU   5 -12.677  13.485   5.616
   44   2HD1  LEU   5          2HD1      LEU   5 -11.574  14.491   4.678
   45   3HD1  LEU   5          3HD1      LEU   5 -13.160  14.079   4.028
   46   1HD2  LEU   5          1HD2      LEU   5  -9.951  11.935   2.912
   47   2HD2  LEU   5          2HD2      LEU   5 -10.671  13.460   2.393
   48   3HD2  LEU   5          3HD2      LEU   5  -9.792  13.373   3.920
   49    MD1  LEU   5           MD1      LEU   5 -12.471  14.019   4.774
   50    MD2  LEU   5           MD2      LEU   5 -10.138  12.923   3.075
   51    QB   LEU   5           QB       LEU   5 -11.290  11.556   5.642
   52    QD   LEU   5           QD       LEU   5 -11.304  13.471   3.924
   53    H    GLU   6           H        GLU   6 -12.547   8.446   6.202
   54    HA   GLU   6           HA       GLU   6 -10.077   7.767   7.561
   55   1HB   GLU   6          1HB       GLU   6 -12.437   7.741   8.553
   56   2HB   GLU   6          2HB       GLU   6 -12.672   6.217   7.695
   57   1HG   GLU   6          1HG       GLU   6 -10.295   5.702   8.872
   58   2HG   GLU   6          2HG       GLU   6 -10.973   6.818  10.058
   59    QB   GLU   6           QB       GLU   6 -12.554   6.979   8.124
   60    QG   GLU   6           QG       GLU   6 -10.634   6.260   9.465
   61    H    MET   7           H        MET   7 -12.183   6.067   5.237
   62    HA   MET   7           HA       MET   7 -10.415   3.739   5.145
   63   1HB   MET   7          1HB       MET   7 -13.056   4.357   4.293
   64   2HB   MET   7          2HB       MET   7 -12.141   3.920   2.850
   65   1HG   MET   7          1HG       MET   7 -11.587   2.173   5.142
   66   2HG   MET   7          2HG       MET   7 -13.270   2.124   4.618
   67   1HE   MET   7          1HE       MET   7 -11.974  -0.333   4.611
   68   2HE   MET   7          2HE       MET   7 -13.397  -0.309   3.572
   69   3HE   MET   7          3HE       MET   7 -11.907  -1.053   2.997
   70    QB   MET   7           QB       MET   7 -12.599   4.138   3.571
   71    QG   MET   7           QG       MET   7 -12.428   2.148   4.880
   72    ME   MET   7           ME       MET   7 -12.426  -0.565   3.727
   73    H    ALA   8           H        ALA   8 -10.874   6.700   3.382
   74    HA   ALA   8           HA       ALA   8  -9.187   5.991   1.105
   75   1HB   ALA   8          1HB       ALA   8 -11.144   7.675   1.179
   76   2HB   ALA   8          3HB       ALA   8  -9.705   8.117   0.263
   77   3HB   ALA   8          2HB       ALA   8  -9.966   8.790   1.871
   78    MB   ALA   8           MB       ALA   8 -10.272   8.194   1.104
   79    H    ASP   9           H        ASP   9  -8.460   7.475   4.204
   80    HA   ASP   9           HA       ASP   9  -6.506   9.181   3.914
   81   1HB   ASP   9          1HB       ASP   9  -7.243   7.506   5.924
   82   2HB   ASP   9          2HB       ASP   9  -5.602   6.945   5.607
   83    QB   ASP   9           QB       ASP   9  -6.423   7.226   5.766
   84    H    THR  10           H        THR  10  -4.129   7.773   4.815
   85    HA   THR  10           HA       THR  10  -2.291   7.954   2.888
   86    HB   THR  10           HB       THR  10  -2.213   5.380   4.431
   87    HG1  THR  10           HG1      THR  10  -1.752   7.933   5.558
   88   1HG2  THR  10          1HG2      THR  10  -0.393   6.904   2.948
   89   2HG2  THR  10          2HG2      THR  10   0.024   7.222   4.632
   90   3HG2  THR  10          3HG2      THR  10  -0.005   5.565   4.028
   91    MG   THR  10           MG       THR  10  -0.125   6.564   3.869
   92    H    PHE  11           H        PHE  11  -3.706   7.540   0.983
   93    HA   PHE  11           HA       PHE  11  -4.517   6.241  -0.775
   94   1HB   PHE  11          1HB       PHE  11  -2.636   4.049  -0.346
   95   2HB   PHE  11          2HB       PHE  11  -2.938   5.018  -1.784
   96    HD1  PHE  11           HD1      PHE  11  -2.175   7.573  -1.553
   97    HD2  PHE  11           HD2      PHE  11  -0.569   4.302   0.720
   98    HE1  PHE  11           HE1      PHE  11  -0.130   8.897  -1.094
   99    HE2  PHE  11           HE2      PHE  11   1.477   5.627   1.180
  100    HZ   PHE  11           HZ       PHE  11   1.697   7.925   0.273
  101    QB   PHE  11           QB       PHE  11  -2.787   4.534  -1.065
  102    QD   PHE  11           QD       PHE  11  -1.372   5.938  -0.417
  103    QE   PHE  11           QE       PHE  11   0.674   7.262   0.043
  104    QR   PHE  11           QR       PHE  11   0.060   6.865  -0.095
  105    H    LEU  12           H        LEU  12  -5.168   5.647   2.164
  106    HA   LEU  12           HA       LEU  12  -5.712   2.912   2.493
  107   1HB   LEU  12          1HB       LEU  12  -5.936   5.182   4.004
  108   2HB   LEU  12          2HB       LEU  12  -7.617   4.951   3.570
  109    HG   LEU  12           HG       LEU  12  -5.823   2.867   4.858
  110   1HD1  LEU  12          1HD1      LEU  12  -6.959   5.050   6.061
  111   2HD1  LEU  12          2HD1      LEU  12  -8.227   3.842   6.262
  112   3HD1  LEU  12          3HD1      LEU  12  -6.607   3.532   6.885
  113   1HD2  LEU  12          1HD2      LEU  12  -8.102   2.463   3.317
  114   2HD2  LEU  12          2HD2      LEU  12  -7.451   1.333   4.502
  115   3HD2  LEU  12          3HD2      LEU  12  -8.721   2.465   4.965
  116    MD1  LEU  12           MD1      LEU  12  -7.264   4.141   6.403
  117    MD2  LEU  12           MD2      LEU  12  -8.091   2.087   4.261
  118    QB   LEU  12           QB       LEU  12  -6.776   5.066   3.787
  119    QD   LEU  12           QD       LEU  12  -7.678   3.114   5.332
  120    H    ASP  13           H        ASP  13  -6.931   5.516   0.573
  121    HA   ASP  13           HA       ASP  13  -9.554   4.647  -0.064
  122   1HB   ASP  13          1HB       ASP  13  -8.446   6.768  -0.859
  123   2HB   ASP  13          2HB       ASP  13  -7.555   5.796  -2.031
  124    QB   ASP  13           QB       ASP  13  -8.000   6.282  -1.445
  125    H    ASN  14           H        ASN  14  -6.637   3.920  -2.046
  126    HA   ASN  14           HA       ASN  14  -8.046   1.415  -2.880
  127   1HB   ASN  14          1HB       ASN  14  -6.077   3.184  -4.341
  128   2HB   ASN  14          2HB       ASN  14  -6.480   1.557  -4.891
  129   2HD2  ASN  14          1HD2      ASN  14  -9.021   1.186  -4.986
  130   1HD2  ASN  14          2HD2      ASN  14  -9.917   2.464  -5.651
  131    QB   ASN  14           QB       ASN  14  -6.278   2.370  -4.616
  132    QD   ASN  14           QD       ASN  14  -9.469   1.825  -5.319
  133    H    MET  15           H        MET  15  -6.446   1.583  -0.473
  134    HA   MET  15           HA       MET  15  -3.907   0.236  -1.206
  135   1HB   MET  15          1HB       MET  15  -4.792   1.812   1.021
  136   2HB   MET  15          2HB       MET  15  -4.291   0.229   1.612
  137   1HG   MET  15          1HG       MET  15  -2.261   0.639  -0.061
  138   2HG   MET  15          2HG       MET  15  -2.678   2.325   0.226
  139   1HE   MET  15          1HE       MET  15  -0.104   1.451   0.644
  140   2HE   MET  15          2HE       MET  15   0.502   1.295   2.290
  141   3HE   MET  15          3HE       MET  15  -0.102  -0.127   1.443
  142    QB   MET  15           QB       MET  15  -4.541   1.021   1.316
  143    QG   MET  15           QG       MET  15  -2.470   1.482   0.083
  144    ME   MET  15           ME       MET  15   0.098   0.873   1.459
  145    H    ARG  16           H        ARG  16  -5.861  -1.399  -2.034
  146    HA   ARG  16           HA       ARG  16  -6.905  -3.181  -0.035
  147   1HB   ARG  16          1HB       ARG  16  -7.006  -2.930  -2.891
  148   2HB   ARG  16          2HB       ARG  16  -6.586  -4.593  -2.480
  149   1HG   ARG  16          1HG       ARG  16  -8.549  -4.896  -1.195
  150   2HG   ARG  16          2HG       ARG  16  -8.848  -3.161  -1.088
  151   1HD   ARG  16          2HD       ARG  16  -8.772  -3.698  -3.836
  152   2HD   ARG  16          1HD       ARG  16 -10.211  -3.380  -2.870
  153    HE   ARG  16           HE       ARG  16 -10.649  -5.734  -2.807
  154   1HH1  ARG  16          1HH1      ARG  16  -8.115  -7.008  -2.344
  155   2HH1  ARG  16          2HH1      ARG  16  -7.668  -7.657  -3.887
  156   1HH2  ARG  16          1HH2      ARG  16  -9.879  -5.662  -5.663
  157   2HH2  ARG  16          2HH2      ARG  16  -8.667  -6.896  -5.764
  158    QB   ARG  16           QB       ARG  16  -6.796  -3.762  -2.686
  159    QG   ARG  16           QG       ARG  16  -8.698  -4.028  -1.141
  160    QD   ARG  16           QD       ARG  16  -9.492  -3.539  -3.353
  161    QH1  ARG  16           QH1      ARG  16  -7.892  -7.332  -3.116
  162    QH2  ARG  16           QH2      ARG  16  -9.273  -6.279  -5.714
  163    H    VAL  17           H        VAL  17  -3.820  -2.844  -1.483
  164    HA   VAL  17           HA       VAL  17  -3.007  -5.513  -0.401
  165    HB   VAL  17           HB       VAL  17  -2.717  -5.072  -2.897
  166   1HG1  VAL  17          1HG1      VAL  17  -0.725  -3.094  -1.764
  167   2HG1  VAL  17          2HG1      VAL  17  -0.614  -3.725  -3.406
  168   3HG1  VAL  17          3HG1      VAL  17  -2.023  -2.784  -2.916
  169   1HG2  VAL  17          1HG2      VAL  17  -0.241  -5.635  -1.234
  170   2HG2  VAL  17          2HG2      VAL  17  -1.458  -6.821  -1.703
  171   3HG2  VAL  17          3HG2      VAL  17  -0.448  -6.060  -2.932
  172    MG1  VAL  17           MG1      VAL  17  -1.121  -3.201  -2.695
  173    MG2  VAL  17           MG2      VAL  17  -0.716  -6.172  -1.957
  174    QG   VAL  17           QG       VAL  17  -0.918  -4.686  -2.326
  175    H    GLY  18           H        GLY  18  -3.202  -2.731   0.901
  176   1HA   GLY  18          1HA       GLY  18  -0.373  -2.163   1.499
  177   2HA   GLY  18          2HA       GLY  18  -1.756  -1.237   2.072
  178    QA   GLY  18           QA       GLY  18  -1.065  -1.700   1.785
  179   1HB   PRO  19          1HB       PRO  19  -4.391  -4.620   6.012
  180   2HB   PRO  19          2HB       PRO  19  -4.059  -2.889   6.187
  181   1HG   PRO  19          2HG       PRO  19  -5.479  -2.631   4.391
  182   2HG   PRO  19          1HG       PRO  19  -5.322  -4.329   3.911
  183   1HD   PRO  19          1HD       PRO  19  -3.873  -3.652   2.278
  184   2HD   PRO  19          2HD       PRO  19  -3.849  -1.991   2.912
  185    QB   PRO  19           QB       PRO  19  -4.225  -3.754   6.100
  186    QG   PRO  19           QG       PRO  19  -5.400  -3.480   4.151
  187    QD   PRO  19           QD       PRO  19  -3.861  -2.821   2.595
  188    H    ARG  20           H        ARG  20  -2.999  -5.842   6.777
  189    HA   ARG  20           HA       ARG  20  -1.352  -7.874   5.466
  190   1HB   ARG  20          1HB       ARG  20  -1.888  -9.262   7.350
  191   2HB   ARG  20          2HB       ARG  20  -1.642  -7.632   7.977
  192   1HG   ARG  20          1HG       ARG  20  -4.198  -7.346   7.662
  193   2HG   ARG  20          2HG       ARG  20  -4.238  -9.106   7.553
  194   1HD   ARG  20          2HD       ARG  20  -2.615  -8.607   9.766
  195   2HD   ARG  20          1HD       ARG  20  -4.301  -9.125   9.811
  196    HE   ARG  20           HE       ARG  20  -4.314  -6.317   9.494
  197   1HH1  ARG  20          1HH1      ARG  20  -4.443  -8.771  11.791
  198   2HH1  ARG  20          2HH1      ARG  20  -4.141  -7.747  13.155
  199   1HH2  ARG  20          1HH2      ARG  20  -3.422  -4.950  11.235
  200   2HH2  ARG  20          2HH2      ARG  20  -3.566  -5.584  12.841
  201    QB   ARG  20           QB       ARG  20  -1.765  -8.447   7.664
  202    QG   ARG  20           QG       ARG  20  -4.218  -8.226   7.608
  203    QD   ARG  20           QD       ARG  20  -3.458  -8.866   9.788
  204    QH1  ARG  20           QH1      ARG  20  -4.292  -8.259  12.473
  205    QH2  ARG  20           QH2      ARG  20  -3.494  -5.267  12.038
  206    H    THR  21           H        THR  21  -4.198  -6.698   4.522
  207    HA   THR  21           HA       THR  21  -5.865  -9.040   4.319
  208    HB   THR  21           HB       THR  21  -6.687  -6.690   4.031
  209    HG1  THR  21           HG1      THR  21  -8.159  -7.296   2.554
  210   1HG2  THR  21          1HG2      THR  21  -4.617  -6.131   2.563
  211   2HG2  THR  21          2HG2      THR  21  -5.567  -6.811   1.241
  212   3HG2  THR  21          3HG2      THR  21  -6.168  -5.411   2.130
  213    MG   THR  21           MG       THR  21  -5.451  -6.118   1.978
  214    H    TYR  22           H        TYR  22  -5.909 -10.628   2.727
  215    HA   TYR  22           HA       TYR  22  -5.236 -11.826   0.805
  216   1HB   TYR  22          1HB       TYR  22  -5.309  -9.413  -0.207
  217   2HB   TYR  22          2HB       TYR  22  -3.554  -9.480  -0.052
  218    HD1  TYR  22           HD1      TYR  22  -6.089 -12.101  -0.921
  219    HD2  TYR  22           HD2      TYR  22  -2.636  -9.871  -2.168
  220    HE1  TYR  22           HE1      TYR  22  -5.955 -13.465  -2.989
  221    HE2  TYR  22           HE2      TYR  22  -2.502 -11.234  -4.236
  222    HH   TYR  22           HH       TYR  22  -3.223 -13.394  -5.063
  223    QB   TYR  22           QB       TYR  22  -4.432  -9.447  -0.130
  224    QD   TYR  22           QD       TYR  22  -4.363 -10.986  -1.545
  225    QE   TYR  22           QE       TYR  22  -4.229 -12.350  -3.612
  226    QR   TYR  22           QR       TYR  22  -4.296 -11.668  -2.578
  227    H    ALA  23           H        ALA  23  -3.410 -10.850   3.318
  228    HA   ALA  23           HA       ALA  23  -0.753 -11.510   2.430
  229   1HB   ALA  23          3HB       ALA  23  -0.793 -10.249   4.413
  230   2HB   ALA  23          2HB       ALA  23  -0.429 -11.874   4.992
  231   3HB   ALA  23          1HB       ALA  23  -2.071 -11.241   5.118
  232    MB   ALA  23           MB       ALA  23  -1.098 -11.121   4.841
  233    H    ASP  24           H        ASP  24  -3.452 -13.288   3.629
  234    HA   ASP  24           HA       ASP  24  -2.013 -15.761   4.137
  235   1HB   ASP  24          1HB       ASP  24  -4.851 -14.875   4.134
  236   2HB   ASP  24          2HB       ASP  24  -4.565 -16.592   3.846
  237    QB   ASP  24           QB       ASP  24  -4.708 -15.733   3.990
  238    H    VAL  25           H        VAL  25  -4.623 -15.200   1.746
  239    HA   VAL  25           HA       VAL  25  -4.062 -17.380   0.095
  240    HB   VAL  25           HB       VAL  25  -4.974 -14.620  -0.777
  241   1HG1  VAL  25          1HG1      VAL  25  -4.347 -16.985  -2.273
  242   2HG1  VAL  25          2HG1      VAL  25  -6.091 -16.736  -2.325
  243   3HG1  VAL  25          3HG1      VAL  25  -5.001 -15.458  -2.864
  244   1HG2  VAL  25          1HG2      VAL  25  -6.297 -15.850   1.043
  245   2HG2  VAL  25          2HG2      VAL  25  -7.200 -15.401  -0.404
  246   3HG2  VAL  25          3HG2      VAL  25  -6.657 -17.064  -0.184
  247    MG1  VAL  25           MG1      VAL  25  -5.146 -16.393  -2.487
  248    MG2  VAL  25           MG2      VAL  25  -6.718 -16.105   0.151
  249    QG   VAL  25           QG       VAL  25  -5.932 -16.249  -1.168
  250    H    ARG  26           H        ARG  26  -2.669 -14.095  -0.133
  251    HA   ARG  26           HA       ARG  26  -0.998 -14.658  -2.389
  252   1HB   ARG  26          1HB       ARG  26  -1.593 -12.374  -1.354
  253   2HB   ARG  26          2HB       ARG  26  -0.287 -12.691  -0.212
  254   1HG   ARG  26          1HG       ARG  26   1.291 -12.981  -2.081
  255   2HG   ARG  26          2HG       ARG  26  -0.011 -12.678  -3.232
  256   1HD   ARG  26          1HD       ARG  26  -0.295 -10.421  -2.428
  257   2HD   ARG  26          2HD       ARG  26   0.812 -10.707  -1.086
  258    HE   ARG  26           HE       ARG  26   1.836 -10.928  -3.874
  259   1HH1  ARG  26          1HH1      ARG  26   3.742 -11.077  -1.626
  260   2HH1  ARG  26          2HH1      ARG  26   4.308  -9.445  -1.488
  261   1HH2  ARG  26          1HH2      ARG  26   1.698  -8.101  -3.335
  262   2HH2  ARG  26          2HH2      ARG  26   3.152  -7.761  -2.457
  263    QB   ARG  26           QB       ARG  26  -0.940 -12.533  -0.783
  264    QG   ARG  26           QG       ARG  26   0.640 -12.829  -2.656
  265    QD   ARG  26           QD       ARG  26   0.259 -10.564  -1.757
  266    QH1  ARG  26           QH1      ARG  26   4.025 -10.261  -1.557
  267    QH2  ARG  26           QH2      ARG  26   2.425  -7.931  -2.896
  268    H    ASP  27           H        ASP  27  -0.538 -15.202   1.075
  269    HA   ASP  27           HA       ASP  27   2.300 -15.800   0.805
  270   1HB   ASP  27          1HB       ASP  27   1.330 -15.008   2.942
  271   2HB   ASP  27          2HB       ASP  27   0.374 -16.487   3.046
  272    QB   ASP  27           QB       ASP  27   0.852 -15.748   2.994
  273    H    GLU  28           H        GLU  28  -0.654 -17.605   0.438
  274    HA   GLU  28           HA       GLU  28   0.361 -20.226   0.923
  275   1HB   GLU  28          1HB       GLU  28  -1.841 -19.191  -0.878
  276   2HB   GLU  28          2HB       GLU  28  -1.476 -20.910  -0.736
  277   1HG   GLU  28          1HG       GLU  28  -1.742 -20.650   1.774
  278   2HG   GLU  28          2HG       GLU  28  -2.365 -19.030   1.464
  279    QB   GLU  28           QB       GLU  28  -1.659 -20.050  -0.807
  280    QG   GLU  28           QG       GLU  28  -2.053 -19.840   1.619
  281    H    ILE  29           H        ILE  29   0.479 -18.122  -1.920
  282    HA   ILE  29           HA       ILE  29   1.651 -20.177  -3.603
  283    HB   ILE  29           HB       ILE  29   1.592 -17.164  -3.919
  284   1HG1  ILE  29          1HG1      ILE  29  -0.076 -19.196  -5.400
  285   2HG1  ILE  29          2HG1      ILE  29  -0.599 -18.551  -3.844
  286   1HG2  ILE  29          1HG2      ILE  29   2.710 -19.373  -5.567
  287   2HG2  ILE  29          2HG2      ILE  29   1.803 -18.131  -6.430
  288   3HG2  ILE  29          3HG2      ILE  29   3.207 -17.684  -5.462
  289   1HD1  ILE  29          1HD1      ILE  29   0.326 -16.538  -5.810
  290   2HD1  ILE  29          2HD1      ILE  29  -1.176 -17.365  -6.219
  291   3HD1  ILE  29          3HD1      ILE  29  -1.041 -16.481  -4.699
  292    MG   ILE  29           MG       ILE  29   2.573 -18.396  -5.820
  293    MD   ILE  29           MD       ILE  29  -0.631 -16.794  -5.576
  294    QG   ILE  29           QG       ILE  29  -0.338 -18.874  -4.622
  295    H    ASN  30           H        ASN  30   2.977 -19.335  -0.977
  296    HA   ASN  30           HA       ASN  30   5.682 -18.783  -2.067
  297   1HB   ASN  30          1HB       ASN  30   4.634 -17.186  -0.329
  298   2HB   ASN  30          2HB       ASN  30   4.887 -18.493   0.829
  299   2HD2  ASN  30          1HD2      ASN  30   6.951 -17.382  -1.913
  300   1HD2  ASN  30          2HD2      ASN  30   8.322 -17.094  -0.955
  301    QB   ASN  30           QB       ASN  30   4.761 -17.839   0.250
  302    QD   ASN  30           QD       ASN  30   7.636 -17.238  -1.434
  303    H    LYS  31           H        LYS  31   4.243 -20.469   0.764
  304    HA   LYS  31           HA       LYS  31   5.969 -22.801   0.084
  305   1HB   LYS  31          1HB       LYS  31   6.817 -21.231   2.005
  306   2HB   LYS  31          2HB       LYS  31   5.534 -21.991   2.947
  307   1HG   LYS  31          1HG       LYS  31   6.671 -24.181   1.791
  308   2HG   LYS  31          2HG       LYS  31   8.079 -23.134   1.966
  309   1HD   LYS  31          1HD       LYS  31   7.079 -22.743   4.389
  310   2HD   LYS  31          2HD       LYS  31   6.313 -24.303   4.083
  311   1HE   LYS  31          1HE       LYS  31   9.284 -23.770   3.794
  312   2HE   LYS  31          2HE       LYS  31   8.539 -24.514   5.208
  313   1HZ   LYS  31          1HZ       LYS  31   8.300 -25.567   2.443
  314   2HZ   LYS  31          2HZ       LYS  31   9.417 -26.133   3.586
  315   3HZ   LYS  31          3HZ       LYS  31   7.752 -26.312   3.868
  316    QB   LYS  31           QB       LYS  31   6.175 -21.611   2.476
  317    QD   LYS  31           QD       LYS  31   6.696 -23.523   4.236
  318    QG   LYS  31           QG       LYS  31   7.375 -23.658   1.879
  319    QE   LYS  31           QE       LYS  31   8.912 -24.142   4.501
  320    QZ   LYS  31           QZ       LYS  31   8.490 -26.004   3.299
  321    H    ARG  32           H        ARG  32   3.077 -22.359  -0.363
  322    HA   ARG  32           HA       ARG  32   1.570 -23.666   1.700
  323   1HB   ARG  32          2HB       ARG  32   0.503 -22.302  -0.063
  324   2HB   ARG  32          1HB       ARG  32  -0.188 -23.921   0.000
  325   1HG   ARG  32          1HG       ARG  32   1.922 -22.942  -1.947
  326   2HG   ARG  32          2HG       ARG  32   1.338 -24.604  -1.850
  327   1HD   ARG  32          1HD       ARG  32  -1.032 -23.448  -2.078
  328   2HD   ARG  32          2HD       ARG  32  -0.088 -22.150  -2.807
  329    HE   ARG  32           HE       ARG  32  -0.464 -24.856  -3.928
  330   1HH1  ARG  32          1HH1      ARG  32   2.333 -24.415  -4.432
  331   2HH1  ARG  32          2HH1      ARG  32   2.364 -23.429  -5.856
  332   1HH2  ARG  32          1HH2      ARG  32  -0.953 -22.454  -5.576
  333   2HH2  ARG  32          2HH2      ARG  32   0.503 -22.319  -6.503
  334    QB   ARG  32           QB       ARG  32   0.158 -23.112  -0.031
  335    QG   ARG  32           QG       ARG  32   1.630 -23.773  -1.899
  336    QD   ARG  32           QD       ARG  32  -0.560 -22.799  -2.442
  337    QH1  ARG  32           QH1      ARG  32   2.349 -23.922  -5.144
  338    QH2  ARG  32           QH2      ARG  32  -0.225 -22.387  -6.039
  339    H    GLY  33           H        GLY  33   3.945 -24.948  -0.254
  340   1HA   GLY  33          1HA       GLY  33   3.020 -27.426  -1.141
  341   2HA   GLY  33          2HA       GLY  33   4.651 -27.176  -0.512
  342    QA   GLY  33           QA       GLY  33   3.836 -27.301  -0.827
  343    H    ARG  34           H        ARG  34   1.994 -29.039  -0.072
  344    HA   ARG  34           HA       ARG  34   2.850 -29.768   2.654
  345   1HB   ARG  34          1HB       ARG  34   0.952 -27.960   2.697
  346   2HB   ARG  34          2HB       ARG  34  -0.090 -29.300   2.218
  347   1HG   ARG  34          1HG       ARG  34   0.051 -30.305   4.256
  348   2HG   ARG  34          2HG       ARG  34   1.762 -29.912   4.437
  349   1HD   ARG  34          2HD       ARG  34   0.928 -27.463   4.741
  350   2HD   ARG  34          1HD       ARG  34   0.746 -28.585   6.090
  351    HE   ARG  34           HE       ARG  34  -1.611 -28.719   4.497
  352   1HH1  ARG  34          1HH1      ARG  34  -0.460 -27.600   7.394
  353   2HH1  ARG  34          2HH1      ARG  34  -1.590 -26.298   7.568
  354   1HH2  ARG  34          1HH2      ARG  34  -2.822 -26.590   4.339
  355   2HH2  ARG  34          2HH2      ARG  34  -2.928 -25.725   5.837
  356    QB   ARG  34           QB       ARG  34   0.431 -28.630   2.458
  357    QG   ARG  34           QG       ARG  34   0.907 -30.108   4.347
  358    QD   ARG  34           QD       ARG  34   0.837 -28.024   5.416
  359    QH1  ARG  34           QH1      ARG  34  -1.025 -26.949   7.481
  360    QH2  ARG  34           QH2      ARG  34  -2.875 -26.158   5.088

  No H/Q in entry =         360
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1 -18.767  16.337   0.554
    2    H2   MET   1           H2       MET   1 -20.216  16.539  -0.310
    3    H3   MET   1           H3       MET   1 -19.866  17.544   1.015
    4    HA   MET   1           HA       MET   1 -21.237  16.126   2.084
    5   1HB   MET   1          1HB       MET   1 -21.263  13.637   1.369
    6   2HB   MET   1          2HB       MET   1 -21.975  14.811   0.260
    7   1HG   MET   1          1HG       MET   1 -20.490  14.264  -1.339
    8   2HG   MET   1          2HG       MET   1 -19.145  14.598  -0.249
    9   1HE   MET   1          1HE       MET   1 -21.695  12.507  -1.595
   10   2HE   MET   1          2HE       MET   1 -21.047  10.871  -1.664
   11   3HE   MET   1          3HE       MET   1 -21.968  11.388  -0.253
   12    QB   MET   1           QB       MET   1 -21.619  14.224   0.814
   13    QG   MET   1           QG       MET   1 -19.818  14.431  -0.794
   14    ME   MET   1           ME       MET   1 -21.570  11.588  -1.171
   15    H    SER   2           H        SER   2 -19.999  16.310   3.961
   16    HA   SER   2           HA       SER   2 -17.415  15.288   4.410
   17   1HB   SER   2          1HB       SER   2 -17.869  15.515   6.758
   18   2HB   SER   2          2HB       SER   2 -18.761  16.800   5.949
   19    HG   SER   2           HG       SER   2 -20.027  15.633   7.489
   20    QB   SER   2           QB       SER   2 -18.315  16.157   6.353
   21    H    TRP   3           H        TRP   3 -16.875  13.372   5.863
   22    HA   TRP   3           HA       TRP   3 -18.639  11.182   6.241
   23   1HB   TRP   3          1HB       TRP   3 -18.212  11.495   3.564
   24   2HB   TRP   3          2HB       TRP   3 -16.898  10.394   3.981
   25    HD1  TRP   3           HD1      TRP   3 -19.071   9.376   6.477
   26    HE1  TRP   3           HE1      TRP   3 -20.677   7.486   5.771
   27    HE3  TRP   3           HE3      TRP   3 -18.698   9.752   1.398
   28    HZ2  TRP   3           HZ2      TRP   3 -21.671   6.292   3.370
   29    HZ3  TRP   3           HZ3      TRP   3 -19.985   8.228  -0.073
   30    HH2  TRP   3           HH2      TRP   3 -21.469   6.499   0.905
   31    QB   TRP   3           QB       TRP   3 -17.555  10.945   3.773
   32    H    ALA   4           H        ALA   4 -16.917   9.020   5.826
   33    HA   ALA   4           HA       ALA   4 -14.780   9.654   7.791
   34   1HB   ALA   4          2HB       ALA   4 -15.211   6.869   6.849
   35   2HB   ALA   4          1HB       ALA   4 -16.539   7.602   7.750
   36   3HB   ALA   4          3HB       ALA   4 -14.939   7.475   8.483
   37    MB   ALA   4           MB       ALA   4 -15.563   7.316   7.694
   38    H    LEU   5           H        LEU   5 -14.489  10.502   4.996
   39    HA   LEU   5           HA       LEU   5 -12.777   8.641   3.602
   40   1HB   LEU   5          1HB       LEU   5 -13.362  11.584   3.336
   41   2HB   LEU   5          2HB       LEU   5 -12.087  10.831   2.376
   42    HG   LEU   5           HG       LEU   5 -14.615   9.321   2.412
   43   1HD1  LEU   5          1HD1      LEU   5 -15.273  11.822   2.408
   44   2HD1  LEU   5          2HD1      LEU   5 -14.541  11.876   0.804
   45   3HD1  LEU   5          3HD1      LEU   5 -15.915  10.813   1.112
   46   1HD2  LEU   5          1HD2      LEU   5 -12.334   9.912   0.673
   47   2HD2  LEU   5          2HD2      LEU   5 -13.379   8.492   0.706
   48   3HD2  LEU   5          3HD2      LEU   5 -13.869   9.927  -0.195
   49    MD1  LEU   5           MD1      LEU   5 -15.243  11.504   1.441
   50    MD2  LEU   5           MD2      LEU   5 -13.194   9.444   0.395
   51    QB   LEU   5           QB       LEU   5 -12.725  11.208   2.856
   52    QD   LEU   5           QD       LEU   5 -14.219  10.474   0.918
   53    H    GLU   6           H        GLU   6 -12.231  11.060   6.080
   54    HA   GLU   6           HA       GLU   6  -9.434  11.455   5.707
   55   1HB   GLU   6          1HB       GLU   6  -9.430  12.019   8.159
   56   2HB   GLU   6          2HB       GLU   6 -10.671  12.870   7.240
   57   1HG   GLU   6          1HG       GLU   6 -12.361  11.260   7.957
   58   2HG   GLU   6          2HG       GLU   6 -11.134  10.315   8.804
   59    QB   GLU   6           QB       GLU   6 -10.050  12.445   7.699
   60    QG   GLU   6           QG       GLU   6 -11.748  10.788   8.380
   61    H    MET   7           H        MET   7 -11.185   8.689   6.756
   62    HA   MET   7           HA       MET   7  -8.666   7.480   7.824
   63   1HB   MET   7          1HB       MET   7 -10.814   7.597   9.270
   64   2HB   MET   7          2HB       MET   7 -11.434   6.337   8.203
   65   1HG   MET   7          1HG       MET   7  -8.696   5.910   9.275
   66   2HG   MET   7          2HG       MET   7 -10.014   5.797  10.442
   67   1HE   MET   7          1HE       MET   7  -8.145   3.896  10.048
   68   2HE   MET   7          2HE       MET   7  -9.233   2.533  10.344
   69   3HE   MET   7          3HE       MET   7  -8.284   2.601   8.860
   70    QB   MET   7           QB       MET   7 -11.124   6.967   8.737
   71    QG   MET   7           QG       MET   7  -9.355   5.853   9.858
   72    ME   MET   7           ME       MET   7  -8.554   3.010   9.751
   73    H    ALA   8           H        ALA   8 -11.584   6.651   5.930
   74    HA   ALA   8           HA       ALA   8 -10.707   4.179   4.912
   75   1HB   ALA   8          3HB       ALA   8 -12.898   4.574   4.322
   76   2HB   ALA   8          1HB       ALA   8 -12.607   6.279   3.977
   77   3HB   ALA   8          2HB       ALA   8 -12.121   5.049   2.811
   78    MB   ALA   8           MB       ALA   8 -12.542   5.301   3.703
   79    H    ASP   9           H        ASP   9  -9.834   7.443   3.904
   80    HA   ASP   9           HA       ASP   9  -8.710   6.915   1.378
   81   1HB   ASP   9          1HB       ASP   9  -8.935   9.183   2.357
   82   2HB   ASP   9          2HB       ASP   9  -7.636   8.807   3.489
   83    QB   ASP   9           QB       ASP   9  -8.285   8.995   2.923
   84    H    THR  10           H        THR  10  -7.002   6.874   4.534
   85    HA   THR  10           HA       THR  10  -4.477   6.095   3.734
   86    HB   THR  10           HB       THR  10  -5.388   6.388   6.128
   87    HG1  THR  10           HG1      THR  10  -3.274   5.839   5.850
   88   1HG2  THR  10          1HG2      THR  10  -6.987   4.303   5.548
   89   2HG2  THR  10          2HG2      THR  10  -5.626   3.425   6.244
   90   3HG2  THR  10          3HG2      THR  10  -6.456   4.660   7.190
   91    MG   THR  10           MG       THR  10  -6.356   4.129   6.328
   92    H    PHE  11           H        PHE  11  -7.389   4.117   3.747
   93    HA   PHE  11           HA       PHE  11  -5.930   1.660   3.091
   94   1HB   PHE  11          1HB       PHE  11  -8.037   1.553   4.362
   95   2HB   PHE  11          2HB       PHE  11  -8.895   2.296   3.013
   96    HD1  PHE  11           HD1      PHE  11  -6.427  -0.502   3.477
   97    HD2  PHE  11           HD2      PHE  11 -10.108   0.815   1.694
   98    HE1  PHE  11           HE1      PHE  11  -6.724  -2.734   2.441
   99    HE2  PHE  11           HE2      PHE  11 -10.404  -1.419   0.659
  100    HZ   PHE  11           HZ       PHE  11  -8.712  -3.194   1.031
  101    QB   PHE  11           QB       PHE  11  -8.466   1.925   3.687
  102    QD   PHE  11           QD       PHE  11  -8.267   0.156   2.586
  103    QE   PHE  11           QE       PHE  11  -8.564  -2.077   1.550
  104    QR   PHE  11           QR       PHE  11  -8.475  -1.407   1.860
  105    H    LEU  12           H        LEU  12  -7.920   4.046   1.349
  106    HA   LEU  12           HA       LEU  12  -7.776   2.651  -1.180
  107   1HB   LEU  12          1HB       LEU  12  -8.845   5.196  -0.169
  108   2HB   LEU  12          2HB       LEU  12  -8.221   5.301  -1.816
  109    HG   LEU  12           HG       LEU  12 -10.143   3.151  -0.883
  110   1HD1  LEU  12          1HD1      LEU  12 -11.112   5.475  -0.796
  111   2HD1  LEU  12          2HD1      LEU  12 -10.751   5.633  -2.516
  112   3HD1  LEU  12          3HD1      LEU  12 -11.903   4.416  -1.965
  113   1HD2  LEU  12          1HD2      LEU  12  -8.830   3.910  -3.467
  114   2HD2  LEU  12          2HD2      LEU  12  -9.147   2.307  -2.804
  115   3HD2  LEU  12          3HD2      LEU  12 -10.461   3.242  -3.519
  116    MD1  LEU  12           MD1      LEU  12 -11.255   5.175  -1.759
  117    MD2  LEU  12           MD2      LEU  12  -9.480   3.153  -3.264
  118    QB   LEU  12           QB       LEU  12  -8.533   5.248  -0.992
  119    QD   LEU  12           QD       LEU  12 -10.367   4.164  -2.511
  120    H    ASP  13           H        ASP  13  -5.404   4.160   0.601
  121    HA   ASP  13           HA       ASP  13  -3.986   5.665  -1.375
  122   1HB   ASP  13          1HB       ASP  13  -3.363   5.906   0.938
  123   2HB   ASP  13          2HB       ASP  13  -3.039   4.178   1.089
  124    QB   ASP  13           QB       ASP  13  -3.201   5.042   1.014
  125    H    ASN  14           H        ASN  14  -3.942   2.212  -0.526
  126    HA   ASN  14           HA       ASN  14  -1.860   1.667  -2.542
  127   1HB   ASN  14          1HB       ASN  14  -2.545   0.423  -0.200
  128   2HB   ASN  14          2HB       ASN  14  -3.349  -0.607  -1.385
  129   2HD2  ASN  14          1HD2      ASN  14  -1.718  -2.314  -0.886
  130   1HD2  ASN  14          2HD2      ASN  14  -0.155  -2.207  -1.541
  131    QB   ASN  14           QB       ASN  14  -2.947  -0.092  -0.793
  132    QD   ASN  14           QD       ASN  14  -0.937  -2.260  -1.213
  133    H    MET  15           H        MET  15  -4.880   2.541  -2.951
  134    HA   MET  15           HA       MET  15  -5.326   0.643  -5.212
  135   1HB   MET  15          1HB       MET  15  -7.310   1.642  -3.162
  136   2HB   MET  15          2HB       MET  15  -7.831   1.065  -4.745
  137   1HG   MET  15          1HG       MET  15  -7.166  -1.122  -4.321
  138   2HG   MET  15          2HG       MET  15  -5.959  -0.633  -3.133
  139   1HE   MET  15          1HE       MET  15  -9.252  -1.310  -4.223
  140   2HE   MET  15          2HE       MET  15 -10.120  -1.933  -2.820
  141   3HE   MET  15          3HE       MET  15 -10.237  -0.220  -3.248
  142    QB   MET  15           QB       MET  15  -7.571   1.354  -3.954
  143    QG   MET  15           QG       MET  15  -6.562  -0.878  -3.727
  144    ME   MET  15           ME       MET  15  -9.870  -1.154  -3.430
  145    H    ARG  16           H        ARG  16  -4.159   2.467  -6.304
  146    HA   ARG  16           HA       ARG  16  -5.765   4.934  -6.626
  147   1HB   ARG  16          1HB       ARG  16  -2.930   4.156  -7.144
  148   2HB   ARG  16          2HB       ARG  16  -3.628   5.419  -8.158
  149   1HG   ARG  16          1HG       ARG  16  -3.700   5.434  -5.127
  150   2HG   ARG  16          2HG       ARG  16  -2.519   6.315  -6.096
  151   1HD   ARG  16          1HD       ARG  16  -5.523   6.707  -6.083
  152   2HD   ARG  16          2HD       ARG  16  -4.296   7.854  -5.543
  153    HE   ARG  16           HE       ARG  16  -3.710   7.287  -8.236
  154   1HH1  ARG  16          1HH1      ARG  16  -4.719   9.871  -6.685
  155   2HH1  ARG  16          2HH1      ARG  16  -5.969  10.365  -7.778
  156   1HH2  ARG  16          1HH2      ARG  16  -6.000   7.368  -9.519
  157   2HH2  ARG  16          2HH2      ARG  16  -6.693   8.949  -9.382
  158    QB   ARG  16           QB       ARG  16  -3.279   4.788  -7.651
  159    QG   ARG  16           QG       ARG  16  -3.110   5.874  -5.611
  160    QD   ARG  16           QD       ARG  16  -4.909   7.280  -5.813
  161    QH1  ARG  16           QH1      ARG  16  -5.344  10.118  -7.231
  162    QH2  ARG  16           QH2      ARG  16  -6.347   8.159  -9.451
  163    H    VAL  17           H        VAL  17  -7.329   3.297  -7.733
  164    HA   VAL  17           HA       VAL  17  -8.472   3.026  -9.781
  165    HB   VAL  17           HB       VAL  17  -6.652   4.944 -10.459
  166   1HG1  VAL  17          1HG1      VAL  17  -5.175   2.871 -11.192
  167   2HG1  VAL  17          2HG1      VAL  17  -6.212   2.911 -12.618
  168   3HG1  VAL  17          3HG1      VAL  17  -5.239   4.320 -12.194
  169   1HG2  VAL  17          1HG2      VAL  17  -8.635   3.412 -12.149
  170   2HG2  VAL  17          2HG2      VAL  17  -8.875   4.949 -11.319
  171   3HG2  VAL  17          3HG2      VAL  17  -7.822   4.865 -12.731
  172    MG1  VAL  17           MG1      VAL  17  -5.542   3.367 -12.001
  173    MG2  VAL  17           MG2      VAL  17  -8.444   4.409 -12.066
  174    QG   VAL  17           QG       VAL  17  -6.993   3.888 -12.034
  175    H    GLY  18           H        GLY  18  -6.479   1.114  -8.391
  176   1HA   GLY  18          1HA       GLY  18  -5.333  -0.556 -10.418
  177   2HA   GLY  18          2HA       GLY  18  -5.695  -1.065  -8.767
  178    QA   GLY  18           QA       GLY  18  -5.514  -0.810  -9.592
  179   1HB   PRO  19          1HB       PRO  19  -8.071  -5.745 -10.607
  180   2HB   PRO  19          2HB       PRO  19  -7.221  -4.985 -11.963
  181   1HG   PRO  19          2HG       PRO  19  -5.340  -5.253 -10.648
  182   2HG   PRO  19          1HG       PRO  19  -6.288  -5.398  -9.159
  183   1HD   PRO  19          1HD       PRO  19  -5.716  -3.214  -8.723
  184   2HD   PRO  19          2HD       PRO  19  -5.069  -2.996 -10.364
  185    QB   PRO  19           QB       PRO  19  -7.646  -5.365 -11.285
  186    QG   PRO  19           QG       PRO  19  -5.814  -5.326  -9.904
  187    QD   PRO  19           QD       PRO  19  -5.392  -3.105  -9.544
  188    H    ARG  20           H        ARG  20 -10.648  -4.317 -10.867
  189    HA   ARG  20           HA       ARG  20 -12.284  -5.036  -9.311
  190   1HB   ARG  20          1HB       ARG  20 -10.027  -5.432  -7.842
  191   2HB   ARG  20          2HB       ARG  20 -10.804  -4.155  -6.904
  192   1HG   ARG  20          1HG       ARG  20 -12.602  -5.473  -6.336
  193   2HG   ARG  20          2HG       ARG  20 -12.534  -6.394  -7.838
  194   1HD   ARG  20          1HD       ARG  20 -10.112  -6.865  -6.383
  195   2HD   ARG  20          2HD       ARG  20 -11.477  -7.119  -5.294
  196    HE   ARG  20           HE       ARG  20 -10.731  -8.876  -7.419
  197   1HH1  ARG  20          1HH1      ARG  20 -13.419  -7.402  -5.833
  198   2HH1  ARG  20          2HH1      ARG  20 -14.551  -8.607  -6.349
  199   1HH2  ARG  20          1HH2      ARG  20 -12.213 -10.411  -8.165
  200   2HH2  ARG  20          2HH2      ARG  20 -13.870 -10.307  -7.670
  201    QB   ARG  20           QB       ARG  20 -10.415  -4.793  -7.373
  202    QG   ARG  20           QG       ARG  20 -12.568  -5.933  -7.087
  203    QD   ARG  20           QD       ARG  20 -10.795  -6.992  -5.838
  204    QH1  ARG  20           QH1      ARG  20 -13.985  -8.004  -6.091
  205    QH2  ARG  20           QH2      ARG  20 -13.041 -10.359  -7.918
  206    H    THR  21           H        THR  21 -10.516  -2.193  -8.011
  207    HA   THR  21           HA       THR  21 -11.307  -0.073  -7.411
  208    HB   THR  21           HB       THR  21 -12.760   0.978  -8.946
  209    HG1  THR  21           HG1      THR  21 -14.269  -0.181 -10.140
  210   1HG2  THR  21          1HG2      THR  21 -11.409  -1.359 -10.318
  211   2HG2  THR  21          2HG2      THR  21 -12.095   0.021 -11.174
  212   3HG2  THR  21          3HG2      THR  21 -10.744   0.255 -10.066
  213    MG   THR  21           MG       THR  21 -11.416  -0.361 -10.519
  214    H    TYR  22           H        TYR  22 -14.164   0.714  -7.480
  215    HA   TYR  22           HA       TYR  22 -15.235  -1.066  -5.330
  216   1HB   TYR  22          1HB       TYR  22 -14.686   1.866  -5.270
  217   2HB   TYR  22          2HB       TYR  22 -16.163   1.306  -4.488
  218    HD1  TYR  22           HD1      TYR  22 -15.769  -0.987  -3.067
  219    HD2  TYR  22           HD2      TYR  22 -12.802   1.998  -3.919
  220    HE1  TYR  22           HE1      TYR  22 -14.451  -1.739  -1.107
  221    HE2  TYR  22           HE2      TYR  22 -11.484   1.248  -1.957
  222    HH   TYR  22           HH       TYR  22 -12.351  -0.127   0.420
  223    QB   TYR  22           QB       TYR  22 -15.425   1.586  -4.879
  224    QD   TYR  22           QD       TYR  22 -14.286   0.506  -3.493
  225    QE   TYR  22           QE       TYR  22 -12.967  -0.246  -1.532
  226    QR   TYR  22           QR       TYR  22 -13.626   0.130  -2.513
  227    H    ALA  23           H        ALA  23 -16.242   1.872  -7.097
  228    HA   ALA  23           HA       ALA  23 -18.858   1.919  -7.229
  229   1HB   ALA  23          3HB       ALA  23 -18.572   3.092  -9.117
  230   2HB   ALA  23          2HB       ALA  23 -18.114   1.636 -10.000
  231   3HB   ALA  23          1HB       ALA  23 -16.893   2.553  -9.116
  232    MB   ALA  23           MB       ALA  23 -17.860   2.427  -9.411
  233    H    ASP  24           H        ASP  24 -17.183  -0.577  -9.042
  234    HA   ASP  24           HA       ASP  24 -19.541  -1.893  -9.984
  235   1HB   ASP  24          1HB       ASP  24 -16.890  -2.179 -10.504
  236   2HB   ASP  24          2HB       ASP  24 -17.166  -3.591  -9.485
  237    QB   ASP  24           QB       ASP  24 -17.028  -2.885  -9.995
  238    H    VAL  25           H        VAL  25 -17.301  -3.416  -7.658
  239    HA   VAL  25           HA       VAL  25 -19.045  -5.287  -6.608
  240    HB   VAL  25           HB       VAL  25 -17.108  -3.699  -4.905
  241   1HG1  VAL  25          1HG1      VAL  25 -18.312  -6.468  -4.775
  242   2HG1  VAL  25          2HG1      VAL  25 -16.849  -6.045  -3.888
  243   3HG1  VAL  25          3HG1      VAL  25 -18.360  -5.201  -3.550
  244   1HG2  VAL  25          1HG2      VAL  25 -16.690  -5.597  -7.154
  245   2HG2  VAL  25          2HG2      VAL  25 -15.631  -4.325  -6.545
  246   3HG2  VAL  25          3HG2      VAL  25 -15.710  -5.880  -5.716
  247    MG1  VAL  25           MG1      VAL  25 -17.840  -5.905  -4.071
  248    MG2  VAL  25           MG2      VAL  25 -16.010  -5.267  -6.472
  249    QG   VAL  25           QG       VAL  25 -16.925  -5.586  -5.271
  250    H    ARG  26           H        ARG  26 -18.621  -1.974  -5.326
  251    HA   ARG  26           HA       ARG  26 -20.488  -2.038  -3.258
  252   1HB   ARG  26          1HB       ARG  26 -19.128  -0.026  -4.765
  253   2HB   ARG  26          2HB       ARG  26 -20.819   0.452  -4.615
  254   1HG   ARG  26          1HG       ARG  26 -20.396  -0.380  -2.091
  255   2HG   ARG  26          2HG       ARG  26 -18.751   0.108  -2.500
  256   1HD   ARG  26          1HD       ARG  26 -19.490   2.172  -1.858
  257   2HD   ARG  26          2HD       ARG  26 -20.136   2.219  -3.498
  258    HE   ARG  26           HE       ARG  26 -22.251   2.299  -2.480
  259   1HH1  ARG  26          1HH1      ARG  26 -22.548  -0.463  -1.759
  260   2HH1  ARG  26          2HH1      ARG  26 -22.598  -0.459  -0.028
  261   1HH2  ARG  26          1HH2      ARG  26 -21.242   2.719   0.272
  262   2HH2  ARG  26          2HH2      ARG  26 -21.860   1.342   1.123
  263    QB   ARG  26           QB       ARG  26 -19.974   0.213  -4.690
  264    QG   ARG  26           QG       ARG  26 -19.573  -0.136  -2.296
  265    QD   ARG  26           QD       ARG  26 -19.813   2.195  -2.678
  266    QH1  ARG  26           QH1      ARG  26 -22.573  -0.461  -0.893
  267    QH2  ARG  26           QH2      ARG  26 -21.551   2.030   0.697
  268    H    ASP  27           H        ASP  27 -21.146  -1.310  -6.701
  269    HA   ASP  27           HA       ASP  27 -23.942  -0.870  -6.397
  270   1HB   ASP  27          1HB       ASP  27 -22.203  -0.717  -8.485
  271   2HB   ASP  27          2HB       ASP  27 -23.081  -2.189  -8.901
  272    QB   ASP  27           QB       ASP  27 -22.642  -1.453  -8.693
  273    H    GLU  28           H        GLU  28 -22.113  -3.886  -6.691
  274    HA   GLU  28           HA       GLU  28 -24.370  -5.544  -7.278
  275   1HB   GLU  28          2HB       GLU  28 -21.702  -6.019  -7.120
  276   2HB   GLU  28          1HB       GLU  28 -22.905  -7.303  -7.092
  277   1HG   GLU  28          1HG       GLU  28 -21.564  -6.018  -4.695
  278   2HG   GLU  28          2HG       GLU  28 -22.900  -7.160  -4.579
  279    QB   GLU  28           QB       GLU  28 -22.304  -6.661  -7.106
  280    QG   GLU  28           QG       GLU  28 -22.232  -6.589  -4.637
  281    H    ILE  29           H        ILE  29 -23.132  -4.185  -4.272
  282    HA   ILE  29           HA       ILE  29 -24.922  -5.791  -2.623
  283    HB   ILE  29           HB       ILE  29 -23.731  -3.169  -1.752
  284   1HG1  ILE  29          1HG1      ILE  29 -22.323  -5.830  -2.121
  285   2HG1  ILE  29          2HG1      ILE  29 -21.888  -4.281  -2.845
  286   1HG2  ILE  29          1HG2      ILE  29 -25.299  -4.622  -0.328
  287   2HG2  ILE  29          2HG2      ILE  29 -23.979  -5.790  -0.267
  288   3HG2  ILE  29          3HG2      ILE  29 -23.759  -4.175   0.405
  289   1HD1  ILE  29          1HD1      ILE  29 -21.944  -4.748   0.145
  290   2HD1  ILE  29          2HD1      ILE  29 -20.491  -4.945  -0.834
  291   3HD1  ILE  29          3HD1      ILE  29 -21.265  -3.364  -0.712
  292    MG   ILE  29           MG       ILE  29 -24.346  -4.862  -0.063
  293    MD   ILE  29           MD       ILE  29 -21.233  -4.352  -0.467
  294    QG   ILE  29           QG       ILE  29 -22.106  -5.055  -2.483
  295    H    ASN  30           H        ASN  30 -25.974  -3.997  -4.860
  296    HA   ASN  30           HA       ASN  30 -27.882  -2.376  -3.276
  297   1HB   ASN  30          1HB       ASN  30 -27.002  -2.266  -6.168
  298   2HB   ASN  30          2HB       ASN  30 -28.417  -1.393  -5.580
  299   2HD2  ASN  30          1HD2      ASN  30 -27.651   0.760  -5.580
  300   1HD2  ASN  30          2HD2      ASN  30 -26.282   1.276  -4.720
  301    QB   ASN  30           QB       ASN  30 -27.710  -1.829  -5.874
  302    QD   ASN  30           QD       ASN  30 -26.966   1.018  -5.150
  303    H    LYS  31           H        LYS  31 -27.964  -4.242  -6.342
  304    HA   LYS  31           HA       LYS  31 -30.416  -5.582  -5.298
  305   1HB   LYS  31          1HB       LYS  31 -30.406  -3.637  -7.327
  306   2HB   LYS  31          2HB       LYS  31 -30.549  -5.180  -8.168
  307   1HG   LYS  31          1HG       LYS  31 -32.410  -5.803  -6.618
  308   2HG   LYS  31          2HG       LYS  31 -32.313  -4.191  -5.909
  309   1HD   LYS  31          1HD       LYS  31 -33.323  -3.202  -7.695
  310   2HD   LYS  31          2HD       LYS  31 -32.505  -4.243  -8.860
  311   1HE   LYS  31          1HE       LYS  31 -34.774  -5.173  -7.080
  312   2HE   LYS  31          2HE       LYS  31 -34.996  -4.608  -8.735
  313   1HZ   LYS  31          1HZ       LYS  31 -32.913  -6.563  -8.479
  314   2HZ   LYS  31          2HZ       LYS  31 -34.432  -7.156  -7.999
  315   3HZ   LYS  31          3HZ       LYS  31 -34.227  -6.513  -9.555
  316    QB   LYS  31           QB       LYS  31 -30.478  -4.408  -7.747
  317    QD   LYS  31           QD       LYS  31 -32.914  -3.722  -8.278
  318    QG   LYS  31           QG       LYS  31 -32.362  -4.997  -6.263
  319    QE   LYS  31           QE       LYS  31 -34.885  -4.890  -7.907
  320    QZ   LYS  31           QZ       LYS  31 -33.857  -6.744  -8.678
  321    H    ARG  32           H        ARG  32 -27.599  -6.515  -5.527
  322    HA   ARG  32           HA       ARG  32 -27.253  -8.180  -7.807
  323   1HB   ARG  32          1HB       ARG  32 -25.386  -7.765  -6.332
  324   2HB   ARG  32          2HB       ARG  32 -26.245  -8.494  -4.975
  325   1HG   ARG  32          1HG       ARG  32 -26.269 -10.665  -6.174
  326   2HG   ARG  32          2HG       ARG  32 -25.377  -9.926  -7.504
  327   1HD   ARG  32          1HD       ARG  32 -23.550  -9.350  -5.896
  328   2HD   ARG  32          2HD       ARG  32 -24.424 -10.231  -4.642
  329    HE   ARG  32           HE       ARG  32 -23.676 -12.240  -5.623
  330   1HH1  ARG  32          1HH1      ARG  32 -22.042  -9.804  -7.117
  331   2HH1  ARG  32          2HH1      ARG  32 -21.825 -10.600  -8.639
  332   1HH2  ARG  32          1HH2      ARG  32 -24.001 -13.195  -7.892
  333   2HH2  ARG  32          2HH2      ARG  32 -22.933 -12.522  -9.077
  334    QB   ARG  32           QB       ARG  32 -25.815  -8.129  -5.654
  335    QG   ARG  32           QG       ARG  32 -25.823 -10.295  -6.839
  336    QD   ARG  32           QD       ARG  32 -23.987  -9.791  -5.269
  337    QH1  ARG  32           QH1      ARG  32 -21.933 -10.202  -7.878
  338    QH2  ARG  32           QH2      ARG  32 -23.467 -12.858  -8.484
  339    H    GLY  33           H        GLY  33 -27.533  -9.831  -4.783
  340   1HA   GLY  33          1HA       GLY  33 -29.710 -11.028  -4.224
  341   2HA   GLY  33          2HA       GLY  33 -29.767 -11.449  -5.937
  342    QA   GLY  33           QA       GLY  33 -29.738 -11.238  -5.080
  343    H    ARG  34           H        ARG  34 -28.745 -13.307  -6.574
  344    HA   ARG  34           HA       ARG  34 -27.519 -14.983  -4.514
  345   1HB   ARG  34          1HB       ARG  34 -27.162 -16.530  -6.549
  346   2HB   ARG  34          2HB       ARG  34 -28.827 -16.178  -6.088
  347   1HG   ARG  34          1HG       ARG  34 -29.187 -14.791  -7.909
  348   2HG   ARG  34          2HG       ARG  34 -27.481 -14.364  -8.052
  349   1HD   ARG  34          1HD       ARG  34 -27.359 -17.040  -8.530
  350   2HD   ARG  34          2HD       ARG  34 -28.952 -16.668  -9.191
  351    HE   ARG  34           HE       ARG  34 -26.735 -14.906 -10.040
  352   1HH1  ARG  34          1HH1      ARG  34 -28.477 -14.483 -11.986
  353   2HH1  ARG  34          2HH1      ARG  34 -28.407 -15.797 -13.112
  354   1HH2  ARG  34          1HH2      ARG  34 -26.792 -17.942 -10.919
  355   2HH2  ARG  34          2HH2      ARG  34 -27.456 -17.755 -12.509
  356    QB   ARG  34           QB       ARG  34 -27.994 -16.354  -6.319
  357    QG   ARG  34           QG       ARG  34 -28.334 -14.577  -7.981
  358    QD   ARG  34           QD       ARG  34 -28.156 -16.854  -8.860
  359    QH1  ARG  34           QH1      ARG  34 -28.442 -15.140 -12.549
  360    QH2  ARG  34           QH2      ARG  34 -27.124 -17.848 -11.714

  No H/Q in entry =         360
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -23.824   7.373   5.190
    2    H2   MET   1           H2       MET   1 -24.166   8.101   6.687
    3    H3   MET   1           H3       MET   1 -25.088   8.496   5.316
    4    HA   MET   1           HA       MET   1 -23.626   9.994   4.588
    5   1HB   MET   1          1HB       MET   1 -22.905   9.501   7.461
    6   2HB   MET   1          2HB       MET   1 -21.940  10.637   6.517
    7   1HG   MET   1          1HG       MET   1 -23.704  12.119   6.238
    8   2HG   MET   1          2HG       MET   1 -24.926  10.858   6.400
    9   1HE   MET   1          1HE       MET   1 -21.918  12.304   8.036
   10   2HE   MET   1          2HE       MET   1 -22.290  12.515   9.745
   11   3HE   MET   1          3HE       MET   1 -21.945  10.904   9.105
   12    QB   MET   1           QB       MET   1 -22.422  10.069   6.989
   13    QG   MET   1           QG       MET   1 -24.315  11.489   6.319
   14    ME   MET   1           ME       MET   1 -22.051  11.908   8.962
   15    H    SER   2           H        SER   2 -22.221   9.469   2.979
   16    HA   SER   2           HA       SER   2 -20.422   7.324   2.916
   17   1HB   SER   2          1HB       SER   2 -19.786   9.967   1.607
   18   2HB   SER   2          2HB       SER   2 -19.437   8.344   1.019
   19    HG   SER   2           HG       SER   2 -21.617   8.039   0.656
   20    QB   SER   2           QB       SER   2 -19.611   9.155   1.313
   21    H    TRP   3           H        TRP   3 -19.319   7.145   4.927
   22    HA   TRP   3           HA       TRP   3 -17.436   9.360   5.600
   23   1HB   TRP   3          1HB       TRP   3 -19.052   7.613   7.161
   24   2HB   TRP   3          2HB       TRP   3 -17.367   7.214   7.502
   25    HD1  TRP   3           HD1      TRP   3 -18.885  10.671   6.690
   26    HE1  TRP   3           HE1      TRP   3 -18.297  12.280   8.617
   27    HE3  TRP   3           HE3      TRP   3 -16.541   7.428   9.866
   28    HZ2  TRP   3           HZ2      TRP   3 -17.007  12.201  11.167
   29    HZ3  TRP   3           HZ3      TRP   3 -15.645   8.220  12.035
   30    HH2  TRP   3           HH2      TRP   3 -15.873  10.602  12.690
   31    QB   TRP   3           QB       TRP   3 -18.209   7.414   7.331
   32    H    ALA   4           H        ALA   4 -16.517   8.119   3.371
   33    HA   ALA   4           HA       ALA   4 -14.756   5.883   4.186
   34   1HB   ALA   4          3HB       ALA   4 -15.683   5.459   2.073
   35   2HB   ALA   4          1HB       ALA   4 -15.523   7.139   1.560
   36   3HB   ALA   4          2HB       ALA   4 -14.094   6.111   1.668
   37    MB   ALA   4           MB       ALA   4 -15.100   6.236   1.767
   38    H    LEU   5           H        LEU   5 -14.312   8.632   5.233
   39    HA   LEU   5           HA       LEU   5 -11.975   9.657   3.800
   40   1HB   LEU   5          1HB       LEU   5 -13.563  10.443   6.188
   41   2HB   LEU   5          2HB       LEU   5 -11.870  10.934   6.178
   42    HG   LEU   5           HG       LEU   5 -13.345  12.648   5.141
   43   1HD1  LEU   5          1HD1      LEU   5 -10.907  11.885   4.325
   44   2HD1  LEU   5          2HD1      LEU   5 -11.802  11.529   2.847
   45   3HD1  LEU   5          3HD1      LEU   5 -11.806  13.164   3.508
   46   1HD2  LEU   5          1HD2      LEU   5 -14.825  10.657   4.184
   47   2HD2  LEU   5          2HD2      LEU   5 -14.725  12.197   3.330
   48   3HD2  LEU   5          3HD2      LEU   5 -13.750  10.828   2.796
   49    MD1  LEU   5           MD1      LEU   5 -11.505  12.192   3.560
   50    MD2  LEU   5           MD2      LEU   5 -14.433  11.227   3.437
   51    QB   LEU   5           QB       LEU   5 -12.716  10.688   6.183
   52    QD   LEU   5           QD       LEU   5 -12.969  11.710   3.498
   53    H    GLU   6           H        GLU   6 -12.547   7.982   6.906
   54    HA   GLU   6           HA       GLU   6  -9.765   7.828   7.615
   55   1HB   GLU   6          1HB       GLU   6 -11.746   7.462   9.169
   56   2HB   GLU   6          2HB       GLU   6 -11.923   5.868   8.433
   57   1HG   GLU   6          1HG       GLU   6  -9.288   5.789   8.978
   58   2HG   GLU   6          2HG       GLU   6  -9.804   6.886  10.259
   59    QB   GLU   6           QB       GLU   6 -11.834   6.665   8.801
   60    QG   GLU   6           QG       GLU   6  -9.546   6.337   9.619
   61    H    MET   7           H        MET   7 -11.896   5.765   5.694
   62    HA   MET   7           HA       MET   7  -9.919   3.631   5.468
   63   1HB   MET   7          1HB       MET   7 -12.519   3.492   5.242
   64   2HB   MET   7          2HB       MET   7 -12.225   3.986   3.574
   65   1HG   MET   7          1HG       MET   7 -12.220   1.583   3.590
   66   2HG   MET   7          2HG       MET   7 -10.539   2.094   3.425
   67   1HE   MET   7          1HE       MET   7 -13.212   0.510   5.061
   68   2HE   MET   7          2HE       MET   7 -12.584  -0.378   6.458
   69   3HE   MET   7          3HE       MET   7 -13.129   1.288   6.640
   70    QB   MET   7           QB       MET   7 -12.372   3.739   4.408
   71    QG   MET   7           QG       MET   7 -11.379   1.839   3.508
   72    ME   MET   7           ME       MET   7 -12.975   0.473   6.053
   73    H    ALA   8           H        ALA   8 -10.933   6.396   3.567
   74    HA   ALA   8           HA       ALA   8  -9.343   5.737   1.216
   75   1HB   ALA   8          1HB       ALA   8 -11.446   7.071   1.138
   76   2HB   ALA   8          3HB       ALA   8 -10.080   7.863   0.353
   77   3HB   ALA   8          2HB       ALA   8 -10.593   8.378   1.961
   78    MB   ALA   8           MB       ALA   8 -10.706   7.771   1.151
   79    H    ASP   9           H        ASP   9  -8.555   7.532   4.109
   80    HA   ASP   9           HA       ASP   9  -6.889   9.441   3.525
   81   1HB   ASP   9          1HB       ASP   9  -7.169   7.791   5.686
   82   2HB   ASP   9          2HB       ASP   9  -5.489   7.509   5.231
   83    QB   ASP   9           QB       ASP   9  -6.329   7.650   5.459
   84    H    THR  10           H        THR  10  -4.268   8.507   4.232
   85    HA   THR  10           HA       THR  10  -2.689   8.772   2.100
   86    HB   THR  10           HB       THR  10  -1.591   8.341   4.148
   87    HG1  THR  10           HG1      THR  10  -0.348   6.369   3.606
   88   1HG2  THR  10          1HG2      THR  10  -3.398   6.968   5.137
   89   2HG2  THR  10          2HG2      THR  10  -2.904   5.608   4.130
   90   3HG2  THR  10          3HG2      THR  10  -1.816   6.224   5.375
   91    MG   THR  10           MG       THR  10  -2.706   6.267   4.880
   92    H    PHE  11           H        PHE  11  -4.177   7.952   0.389
   93    HA   PHE  11           HA       PHE  11  -4.912   6.353  -1.158
   94   1HB   PHE  11          1HB       PHE  11  -2.458   4.778  -0.521
   95   2HB   PHE  11          2HB       PHE  11  -3.281   4.983  -2.066
   96    HD1  PHE  11           HD1      PHE  11  -3.625   7.810  -2.387
   97    HD2  PHE  11           HD2      PHE  11  -0.296   5.699  -0.682
   98    HE1  PHE  11           HE1      PHE  11  -2.135   9.711  -2.946
   99    HE2  PHE  11           HE2      PHE  11   1.195   7.601  -1.242
  100    HZ   PHE  11           HZ       PHE  11   0.275   9.607  -2.375
  101    QB   PHE  11           QB       PHE  11  -2.870   4.881  -1.294
  102    QD   PHE  11           QD       PHE  11  -1.960   6.755  -1.535
  103    QE   PHE  11           QE       PHE  11  -0.470   8.656  -2.094
  104    QR   PHE  11           QR       PHE  11  -0.917   8.086  -1.926
  105    H    LEU  12           H        LEU  12  -5.284   6.006   1.822
  106    HA   LEU  12           HA       LEU  12  -5.236   3.232   2.405
  107   1HB   LEU  12          1HB       LEU  12  -5.581   5.493   3.866
  108   2HB   LEU  12          2HB       LEU  12  -7.266   5.052   3.654
  109    HG   LEU  12           HG       LEU  12  -5.367   2.882   4.444
  110   1HD1  LEU  12          1HD1      LEU  12  -4.958   5.060   5.832
  111   2HD1  LEU  12          2HD1      LEU  12  -6.521   4.684   6.559
  112   3HD1  LEU  12          3HD1      LEU  12  -5.190   3.535   6.688
  113   1HD2  LEU  12          1HD2      LEU  12  -7.851   2.589   4.027
  114   2HD2  LEU  12          2HD2      LEU  12  -7.299   2.047   5.612
  115   3HD2  LEU  12          3HD2      LEU  12  -8.127   3.592   5.451
  116    MD1  LEU  12           MD1      LEU  12  -5.556   4.426   6.360
  117    MD2  LEU  12           MD2      LEU  12  -7.759   2.743   5.030
  118    QB   LEU  12           QB       LEU  12  -6.423   5.272   3.760
  119    QD   LEU  12           QD       LEU  12  -6.658   3.585   5.695
  120    H    ASP  13           H        ASP  13  -7.152   5.423   0.539
  121    HA   ASP  13           HA       ASP  13  -9.678   4.195   0.409
  122   1HB   ASP  13          1HB       ASP  13  -8.133   5.961  -1.240
  123   2HB   ASP  13          2HB       ASP  13  -8.942   4.780  -2.270
  124    QB   ASP  13           QB       ASP  13  -8.537   5.370  -1.755
  125    H    ASN  14           H        ASN  14  -7.056   3.362  -1.925
  126    HA   ASN  14           HA       ASN  14  -8.464   0.779  -2.366
  127   1HB   ASN  14          1HB       ASN  14  -7.530   2.447  -4.211
  128   2HB   ASN  14          2HB       ASN  14  -6.029   1.567  -3.915
  129   2HD2  ASN  14          1HD2      ASN  14  -8.226   1.530  -6.186
  130   1HD2  ASN  14          2HD2      ASN  14  -8.482  -0.132  -6.420
  131    QB   ASN  14           QB       ASN  14  -6.780   2.007  -4.063
  132    QD   ASN  14           QD       ASN  14  -8.354   0.699  -6.303
  133    H    MET  15           H        MET  15  -5.629   2.064  -0.892
  134    HA   MET  15           HA       MET  15  -3.700   1.037  -0.008
  135   1HB   MET  15          1HB       MET  15  -4.325  -0.948   1.449
  136   2HB   MET  15          2HB       MET  15  -5.247   0.524   1.752
  137   1HG   MET  15          1HG       MET  15  -7.105  -0.315   0.411
  138   2HG   MET  15          2HG       MET  15  -6.175  -1.750  -0.024
  139   1HE   MET  15          1HE       MET  15  -5.235  -3.453   1.708
  140   2HE   MET  15          2HE       MET  15  -6.550  -4.173   2.646
  141   3HE   MET  15          3HE       MET  15  -6.769  -3.834   0.932
  142    QB   MET  15           QB       MET  15  -4.786  -0.212   1.601
  143    QG   MET  15           QG       MET  15  -6.640  -1.032   0.194
  144    ME   MET  15           ME       MET  15  -6.185  -3.820   1.762
  145    H    ARG  16           H        ARG  16  -2.860   0.547  -2.194
  146    HA   ARG  16           HA       ARG  16  -3.287  -2.172  -3.226
  147   1HB   ARG  16          2HB       ARG  16  -2.972  -0.212  -4.747
  148   2HB   ARG  16          1HB       ARG  16  -1.794  -1.493  -5.033
  149   1HG   ARG  16          1HG       ARG  16  -1.407   1.216  -3.832
  150   2HG   ARG  16          2HG       ARG  16  -0.404  -0.099  -3.223
  151   1HD   ARG  16          1HD       ARG  16   0.704  -0.368  -5.222
  152   2HD   ARG  16          2HD       ARG  16  -0.683   0.146  -6.182
  153    HE   ARG  16           HE       ARG  16  -0.129   2.496  -5.470
  154   1HH1  ARG  16          1HH1      ARG  16   1.983   0.984  -3.574
  155   2HH1  ARG  16          2HH1      ARG  16   3.437   1.596  -4.288
  156   1HH2  ARG  16          1HH2      ARG  16   1.839   2.859  -7.095
  157   2HH2  ARG  16          2HH2      ARG  16   3.356   2.658  -6.284
  158    QB   ARG  16           QB       ARG  16  -2.383  -0.853  -4.890
  159    QG   ARG  16           QG       ARG  16  -0.906   0.559  -3.528
  160    QD   ARG  16           QD       ARG  16   0.011  -0.111  -5.702
  161    QH1  ARG  16           QH1      ARG  16   2.710   1.290  -3.931
  162    QH2  ARG  16           QH2      ARG  16   2.598   2.759  -6.689
  163    H    VAL  17           H        VAL  17  -2.239  -2.260  -0.627
  164    HA   VAL  17           HA       VAL  17  -0.562  -3.473   0.500
  165    HB   VAL  17           HB       VAL  17   0.998  -3.730  -2.056
  166   1HG1  VAL  17          1HG1      VAL  17   0.690  -5.142   0.538
  167   2HG1  VAL  17          2HG1      VAL  17   0.918  -6.169  -0.877
  168   3HG1  VAL  17          3HG1      VAL  17   2.120  -4.944  -0.473
  169   1HG2  VAL  17          1HG2      VAL  17  -1.764  -4.629  -1.566
  170   2HG2  VAL  17          2HG2      VAL  17  -0.876  -4.503  -3.085
  171   3HG2  VAL  17          3HG2      VAL  17  -0.671  -5.923  -2.058
  172    MG1  VAL  17           MG1      VAL  17   1.243  -5.419  -0.271
  173    MG2  VAL  17           MG2      VAL  17  -1.104  -5.019  -2.236
  174    QG   VAL  17           QG       VAL  17   0.069  -5.219  -1.254
  175    H    GLY  18           H        GLY  18  -0.496  -0.529  -0.124
  176   1HA   GLY  18          1HA       GLY  18   2.370  -0.135   0.576
  177   2HA   GLY  18          2HA       GLY  18   1.685   0.818  -0.741
  178    QA   GLY  18           QA       GLY  18   2.027   0.342  -0.082
  179   1HB   PRO  19          1HB       PRO  19  -0.309   0.965   5.468
  180   2HB   PRO  19          2HB       PRO  19  -1.552   0.523   4.284
  181   1HG   PRO  19          2HG       PRO  19  -0.463  -1.513   4.220
  182   2HG   PRO  19          1HG       PRO  19   1.032  -0.836   4.887
  183   1HD   PRO  19          1HD       PRO  19   1.865  -0.846   2.746
  184   2HD   PRO  19          2HD       PRO  19   0.266  -1.223   2.068
  185    QB   PRO  19           QB       PRO  19  -0.931   0.744   4.876
  186    QG   PRO  19           QG       PRO  19   0.284  -1.174   4.554
  187    QD   PRO  19           QD       PRO  19   1.066  -1.034   2.407
  188    H    ARG  20           H        ARG  20   1.416   3.631   2.519
  189    HA   ARG  20           HA       ARG  20   3.138   5.023   3.300
  190   1HB   ARG  20          1HB       ARG  20   1.305   5.210   5.185
  191   2HB   ARG  20          2HB       ARG  20   2.454   4.256   6.123
  192   1HG   ARG  20          1HG       ARG  20   2.784   6.709   6.432
  193   2HG   ARG  20          2HG       ARG  20   4.203   5.921   5.743
  194   1HD   ARG  20          1HD       ARG  20   3.901   6.885   3.664
  195   2HD   ARG  20          2HD       ARG  20   2.153   7.006   3.857
  196    HE   ARG  20           HE       ARG  20   2.898   8.820   5.670
  197   1HH1  ARG  20          1HH1      ARG  20   5.304   8.150   3.482
  198   2HH1  ARG  20          2HH1      ARG  20   5.398   9.742   2.805
  199   1HH2  ARG  20          1HH2      ARG  20   2.545  10.879   4.414
  200   2HH2  ARG  20          2HH2      ARG  20   3.835  11.286   3.331
  201    QB   ARG  20           QB       ARG  20   1.880   4.733   5.654
  202    QG   ARG  20           QG       ARG  20   3.494   6.315   6.088
  203    QD   ARG  20           QD       ARG  20   3.027   6.946   3.760
  204    QH1  ARG  20           QH1      ARG  20   5.351   8.946   3.143
  205    QH2  ARG  20           QH2      ARG  20   3.190  11.082   3.873
  206    H    THR  21           H        THR  21   3.365   1.945   3.107
  207    HA   THR  21           HA       THR  21   6.119   1.832   4.112
  208    HB   THR  21           HB       THR  21   5.632  -0.335   5.362
  209    HG1  THR  21           HG1      THR  21   3.531  -0.719   5.915
  210   1HG2  THR  21          1HG2      THR  21   5.924   2.040   6.360
  211   2HG2  THR  21          2HG2      THR  21   4.177   1.993   6.599
  212   3HG2  THR  21          3HG2      THR  21   5.206   0.795   7.383
  213    MG   THR  21           MG       THR  21   5.102   1.609   6.781
  214    H    TYR  22           H        TYR  22   6.561   1.545   1.863
  215    HA   TYR  22           HA       TYR  22   7.054  -0.951   0.841
  216   1HB   TYR  22          1HB       TYR  22   4.180  -0.454   0.836
  217   2HB   TYR  22          2HB       TYR  22   4.787  -0.791  -0.782
  218    HD1  TYR  22           HD1      TYR  22   6.355  -2.075   2.319
  219    HD2  TYR  22           HD2      TYR  22   3.814  -2.991  -1.023
  220    HE1  TYR  22           HE1      TYR  22   6.497  -4.487   2.872
  221    HE2  TYR  22           HE2      TYR  22   3.955  -5.404  -0.468
  222    HH   TYR  22           HH       TYR  22   6.059  -6.572   2.139
  223    QB   TYR  22           QB       TYR  22   4.484  -0.622   0.027
  224    QD   TYR  22           QD       TYR  22   5.085  -2.533   0.648
  225    QE   TYR  22           QE       TYR  22   5.226  -4.946   1.202
  226    QR   TYR  22           QR       TYR  22   5.155  -3.739   0.925
  227    H    ALA  23           H        ALA  23   5.599   2.171  -0.150
  228    HA   ALA  23           HA       ALA  23   6.345   2.145  -2.845
  229   1HB   ALA  23          2HB       ALA  23   6.745   4.628  -1.210
  230   2HB   ALA  23          3HB       ALA  23   6.092   4.474  -2.841
  231   3HB   ALA  23          1HB       ALA  23   5.122   3.982  -1.452
  232    MB   ALA  23           MB       ALA  23   5.986   4.361  -1.834
  233    H    ASP  24           H        ASP  24   8.307   2.841  -0.059
  234    HA   ASP  24           HA       ASP  24  10.677   3.565  -1.566
  235   1HB   ASP  24          1HB       ASP  24   9.929   3.247   1.271
  236   2HB   ASP  24          2HB       ASP  24  11.613   2.866   0.910
  237    QB   ASP  24           QB       ASP  24  10.771   3.057   1.091
  238    H    VAL  25           H        VAL  25  10.239   0.813   0.690
  239    HA   VAL  25           HA       VAL  25  12.395  -0.741   0.007
  240    HB   VAL  25           HB       VAL  25   9.571  -1.780   0.389
  241   1HG1  VAL  25          1HG1      VAL  25  12.177  -3.071   0.004
  242   2HG1  VAL  25          2HG1      VAL  25  11.366  -3.581   1.486
  243   3HG1  VAL  25          3HG1      VAL  25  10.558  -3.765  -0.071
  244   1HG2  VAL  25          1HG2      VAL  25  11.526  -0.519   2.164
  245   2HG2  VAL  25          2HG2      VAL  25   9.822  -0.877   2.450
  246   3HG2  VAL  25          3HG2      VAL  25  11.043  -2.120   2.728
  247    MG1  VAL  25           MG1      VAL  25  11.367  -3.472   0.473
  248    MG2  VAL  25           MG2      VAL  25  10.797  -1.172   2.447
  249    QG   VAL  25           QG       VAL  25  11.082  -2.322   1.460
  250    H    ARG  26           H        ARG  26   9.415  -0.448  -1.874
  251    HA   ARG  26           HA       ARG  26  10.247  -2.406  -3.887
  252   1HB   ARG  26          2HB       ARG  26   8.264  -1.714  -5.070
  253   2HB   ARG  26          1HB       ARG  26   8.184  -0.190  -4.189
  254   1HG   ARG  26          1HG       ARG  26   8.178  -2.049  -2.153
  255   2HG   ARG  26          2HG       ARG  26   6.735  -1.289  -2.826
  256   1HD   ARG  26          1HD       ARG  26   7.154  -3.283  -4.639
  257   2HD   ARG  26          2HD       ARG  26   7.744  -4.049  -3.165
  258    HE   ARG  26           HE       ARG  26   5.527  -3.899  -2.241
  259   1HH1  ARG  26          1HH1      ARG  26   5.085  -1.208  -3.803
  260   2HH1  ARG  26          2HH1      ARG  26   3.733  -1.668  -4.784
  261   1HH2  ARG  26          1HH2      ARG  26   4.112  -5.062  -4.187
  262   2HH2  ARG  26          2HH2      ARG  26   3.183  -3.848  -5.001
  263    QB   ARG  26           QB       ARG  26   8.224  -0.952  -4.630
  264    QG   ARG  26           QG       ARG  26   7.457  -1.669  -2.489
  265    QD   ARG  26           QD       ARG  26   7.449  -3.666  -3.902
  266    QH1  ARG  26           QH1      ARG  26   4.409  -1.438  -4.293
  267    QH2  ARG  26           QH2      ARG  26   3.647  -4.455  -4.594
  268    H    ASP  27           H        ASP  27  10.084   1.239  -3.995
  269    HA   ASP  27           HA       ASP  27  11.216   1.709  -6.513
  270   1HB   ASP  27          1HB       ASP  27  11.558   3.030  -3.843
  271   2HB   ASP  27          2HB       ASP  27  12.765   3.418  -5.070
  272    QB   ASP  27           QB       ASP  27  12.162   3.224  -4.456
  273    H    GLU  28           H        GLU  28  12.776   0.158  -3.782
  274    HA   GLU  28           HA       GLU  28  15.352   0.128  -4.946
  275   1HB   GLU  28          1HB       GLU  28  14.008  -1.437  -2.783
  276   2HB   GLU  28          2HB       GLU  28  15.462  -2.114  -3.510
  277   1HG   GLU  28          1HG       GLU  28  15.914   0.668  -2.992
  278   2HG   GLU  28          2HG       GLU  28  15.288  -0.081  -1.522
  279    QB   GLU  28           QB       GLU  28  14.735  -1.776  -3.146
  280    QG   GLU  28           QG       GLU  28  15.601   0.294  -2.257
  281    H    ILE  29           H        ILE  29  14.985  -0.284  -7.016
  282    HA   ILE  29           HA       ILE  29  15.000  -1.843  -8.889
  283    HB   ILE  29           HB       ILE  29  13.068  -3.477  -7.153
  284   1HG1  ILE  29          1HG1      ILE  29  16.076  -3.609  -7.565
  285   2HG1  ILE  29          2HG1      ILE  29  15.164  -3.754  -6.065
  286   1HG2  ILE  29          1HG2      ILE  29  14.524  -4.021  -9.788
  287   2HG2  ILE  29          2HG2      ILE  29  13.551  -5.206  -8.919
  288   3HG2  ILE  29          3HG2      ILE  29  12.792  -3.763  -9.589
  289   1HD1  ILE  29          1HD1      ILE  29  14.198  -5.921  -7.018
  290   2HD1  ILE  29          2HD1      ILE  29  15.421  -5.798  -8.282
  291   3HD1  ILE  29          3HD1      ILE  29  15.908  -5.965  -6.596
  292    MG   ILE  29           MG       ILE  29  13.622  -4.330  -9.432
  293    MD   ILE  29           MD       ILE  29  15.176  -5.895  -7.299
  294    QG   ILE  29           QG       ILE  29  15.620  -3.682  -6.815
  295    H    ASN  30           H        ASN  30  13.808   0.469  -9.038
  296    HA   ASN  30           HA       ASN  30  11.783   1.706  -9.042
  297   1HB   ASN  30          1HB       ASN  30  10.725   1.279 -11.241
  298   2HB   ASN  30          2HB       ASN  30  12.464   1.557 -11.282
  299   2HD2  ASN  30          1HD2      ASN  30  10.723  -0.014 -13.214
  300   1HD2  ASN  30          2HD2      ASN  30  11.413  -1.563 -13.267
  301    QB   ASN  30           QB       ASN  30  11.595   1.418 -11.261
  302    QD   ASN  30           QD       ASN  30  11.068  -0.789 -13.241
  303    H    LYS  31           H        LYS  31  11.315  -0.086  -7.150
  304    HA   LYS  31           HA       LYS  31   9.141  -0.504  -6.124
  305   1HB   LYS  31          1HB       LYS  31   8.228  -1.375  -8.865
  306   2HB   LYS  31          2HB       LYS  31   7.259  -1.398  -7.401
  307   1HG   LYS  31          1HG       LYS  31   7.344   0.996  -7.193
  308   2HG   LYS  31          2HG       LYS  31   8.528   1.127  -8.493
  309   1HD   LYS  31          1HD       LYS  31   6.704  -0.108  -9.917
  310   2HD   LYS  31          2HD       LYS  31   5.602   0.463  -8.665
  311   1HE   LYS  31          1HE       LYS  31   6.266   2.769  -9.061
  312   2HE   LYS  31          2HE       LYS  31   7.498   2.251 -10.212
  313   1HZ   LYS  31          1HZ       LYS  31   5.279   1.073 -11.173
  314   2HZ   LYS  31          2HZ       LYS  31   4.651   2.529 -10.564
  315   3HZ   LYS  31          3HZ       LYS  31   5.896   2.554 -11.718
  316    QB   LYS  31           QB       LYS  31   7.744  -1.386  -8.133
  317    QD   LYS  31           QD       LYS  31   6.153   0.177  -9.291
  318    QG   LYS  31           QG       LYS  31   7.936   1.062  -7.843
  319    QE   LYS  31           QE       LYS  31   6.882   2.510  -9.637
  320    QZ   LYS  31           QZ       LYS  31   5.275   2.052 -11.152
  321    H    ARG  32           H        ARG  32  11.620  -2.373  -6.644
  322    HA   ARG  32           HA       ARG  32  10.034  -4.834  -6.072
  323   1HB   ARG  32          1HB       ARG  32  11.481  -4.389  -8.451
  324   2HB   ARG  32          2HB       ARG  32  12.429  -5.533  -7.499
  325   1HG   ARG  32          1HG       ARG  32   9.472  -5.948  -7.689
  326   2HG   ARG  32          2HG       ARG  32  10.468  -6.375  -9.081
  327   1HD   ARG  32          1HD       ARG  32  11.617  -8.035  -7.923
  328   2HD   ARG  32          2HD       ARG  32  11.306  -7.296  -6.351
  329    HE   ARG  32           HE       ARG  32   9.342  -8.911  -7.904
  330   1HH1  ARG  32          1HH1      ARG  32   8.851  -6.499  -5.798
  331   2HH1  ARG  32          2HH1      ARG  32   8.260  -7.455  -4.480
  332   1HH2  ARG  32          1HH2      ARG  32   9.211 -10.475  -5.894
  333   2HH2  ARG  32          2HH2      ARG  32   8.460  -9.706  -4.536
  334    QB   ARG  32           QB       ARG  32  11.955  -4.961  -7.975
  335    QG   ARG  32           QG       ARG  32   9.970  -6.161  -8.385
  336    QD   ARG  32           QD       ARG  32  11.462  -7.665  -7.137
  337    QH1  ARG  32           QH1      ARG  32   8.556  -6.977  -5.139
  338    QH2  ARG  32           QH2      ARG  32   8.835 -10.090  -5.215
  339    H    GLY  33           H        GLY  33  10.634  -4.466  -3.835
  340   1HA   GLY  33          1HA       GLY  33  13.538  -4.682  -3.230
  341   2HA   GLY  33          2HA       GLY  33  12.282  -4.230  -2.073
  342    QA   GLY  33           QA       GLY  33  12.910  -4.456  -2.651
  343    H    ARG  34           H        ARG  34  13.174  -5.945  -0.667
  344    HA   ARG  34           HA       ARG  34  11.920  -8.555  -1.315
  345   1HB   ARG  34          1HB       ARG  34  13.970  -9.765  -0.578
  346   2HB   ARG  34          2HB       ARG  34  14.239  -8.824  -2.046
  347   1HG   ARG  34          1HG       ARG  34  15.301  -7.049  -0.787
  348   2HG   ARG  34          2HG       ARG  34  14.885  -7.825   0.742
  349   1HD   ARG  34          1HD       ARG  34  16.897  -8.846   0.633
  350   2HD   ARG  34          2HD       ARG  34  16.225  -9.816  -0.679
  351    HE   ARG  34           HE       ARG  34  17.055  -7.750  -2.122
  352   1HH1  ARG  34          1HH1      ARG  34  18.687 -10.041  -0.329
  353   2HH1  ARG  34          2HH1      ARG  34  20.221  -9.236  -0.351
  354   1HH2  ARG  34          1HH2      ARG  34  18.965  -6.312  -1.729
  355   2HH2  ARG  34          2HH2      ARG  34  20.378  -7.124  -1.140
  356    QB   ARG  34           QB       ARG  34  14.104  -9.295  -1.312
  357    QG   ARG  34           QG       ARG  34  15.093  -7.437  -0.023
  358    QD   ARG  34           QD       ARG  34  16.561  -9.331  -0.023
  359    QH1  ARG  34           QH1      ARG  34  19.454  -9.639  -0.340
  360    QH2  ARG  34           QH2      ARG  34  19.672  -6.718  -1.435

  No H/Q in entry =         360
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1 -19.237  16.280   4.102
    2    H2   MET   1           H2       MET   1 -19.920  15.509   5.450
    3    H3   MET   1           H3       MET   1 -18.860  16.819   5.669
    4    HA   MET   1           HA       MET   1 -16.999  15.586   4.954
    5   1HB   MET   1          1HB       MET   1 -17.912  15.133   7.277
    6   2HB   MET   1          2HB       MET   1 -18.683  13.691   6.614
    7   1HG   MET   1          1HG       MET   1 -16.729  12.548   6.524
    8   2HG   MET   1          2HG       MET   1 -15.846  13.938   5.890
    9   1HE   MET   1          1HE       MET   1 -15.302  11.572   8.178
   10   2HE   MET   1          2HE       MET   1 -15.409  12.136   9.844
   11   3HE   MET   1          3HE       MET   1 -16.883  11.842   8.909
   12    QB   MET   1           QB       MET   1 -18.298  14.412   6.946
   13    QG   MET   1           QG       MET   1 -16.287  13.243   6.207
   14    ME   MET   1           ME       MET   1 -15.865  11.850   8.977
   15    H    SER   2           H        SER   2 -19.828  13.384   4.809
   16    HA   SER   2           HA       SER   2 -20.422  11.864   3.103
   17   1HB   SER   2          1HB       SER   2 -19.738  12.325   0.970
   18   2HB   SER   2          2HB       SER   2 -19.126  13.803   1.708
   19    HG   SER   2           HG       SER   2 -17.535  12.687   0.471
   20    QB   SER   2           QB       SER   2 -19.432  13.064   1.339
   21    H    TRP   3           H        TRP   3 -17.914  11.754   5.124
   22    HA   TRP   3           HA       TRP   3 -16.382  10.102   5.771
   23   1HB   TRP   3          1HB       TRP   3 -18.116   8.203   4.180
   24   2HB   TRP   3          2HB       TRP   3 -17.174   7.860   5.630
   25    HD1  TRP   3           HD1      TRP   3 -18.028  10.217   7.470
   26    HE1  TRP   3           HE1      TRP   3 -20.430  10.355   8.396
   27    HE3  TRP   3           HE3      TRP   3 -20.449   7.273   4.075
   28    HZ2  TRP   3           HZ2      TRP   3 -23.035   9.346   7.778
   29    HZ3  TRP   3           HZ3      TRP   3 -22.887   6.876   4.266
   30    HH2  TRP   3           HH2      TRP   3 -24.184   7.908   6.111
   31    QB   TRP   3           QB       TRP   3 -17.645   8.032   4.905
   32    H    ALA   4           H        ALA   4 -15.738   7.690   4.255
   33    HA   ALA   4           HA       ALA   4 -14.486   6.982   2.378
   34   1HB   ALA   4          1HB       ALA   4 -16.003   8.802   1.196
   35   2HB   ALA   4          2HB       ALA   4 -14.509   9.738   1.201
   36   3HB   ALA   4          3HB       ALA   4 -14.567   8.174   0.388
   37    MB   ALA   4           MB       ALA   4 -15.026   8.905   0.929
   38    H    LEU   5           H        LEU   5 -13.767   9.504   4.510
   39    HA   LEU   5           HA       LEU   5 -11.001   9.873   3.545
   40   1HB   LEU   5          1HB       LEU   5 -12.742  11.515   4.909
   41   2HB   LEU   5          2HB       LEU   5 -11.690  10.935   6.201
   42    HG   LEU   5           HG       LEU   5 -10.808  13.005   5.141
   43   1HD1  LEU   5          1HD1      LEU   5  -9.213  10.467   4.673
   44   2HD1  LEU   5          2HD1      LEU   5  -8.527  12.091   4.645
   45   3HD1  LEU   5          3HD1      LEU   5  -9.218  11.452   6.136
   46   1HD2  LEU   5          1HD2      LEU   5 -11.739  11.960   2.809
   47   2HD2  LEU   5          2HD2      LEU   5 -10.507  13.217   2.882
   48   3HD2  LEU   5          3HD2      LEU   5 -10.034  11.530   2.685
   49    MD1  LEU   5           MD1      LEU   5  -8.986  11.336   5.151
   50    MD2  LEU   5           MD2      LEU   5 -10.760  12.236   2.792
   51    QB   LEU   5           QB       LEU   5 -12.216  11.225   5.555
   52    QD   LEU   5           QD       LEU   5  -9.873  11.786   3.972
   53    H    GLU   6           H        GLU   6 -12.696   8.448   6.341
   54    HA   GLU   6           HA       GLU   6 -10.272   7.586   7.654
   55   1HB   GLU   6          1HB       GLU   6 -12.479   7.859   8.807
   56   2HB   GLU   6          2HB       GLU   6 -13.071   6.449   7.928
   57   1HG   GLU   6          1HG       GLU   6 -11.530   4.995   9.006
   58   2HG   GLU   6          2HG       GLU   6 -10.564   6.343   9.610
   59    QB   GLU   6           QB       GLU   6 -12.775   7.154   8.368
   60    QG   GLU   6           QG       GLU   6 -11.047   5.669   9.308
   61    H    MET   7           H        MET   7 -11.731   6.561   4.812
   62    HA   MET   7           HA       MET   7 -10.561   3.827   5.120
   63   1HB   MET   7          1HB       MET   7 -12.086   3.263   3.147
   64   2HB   MET   7          2HB       MET   7 -12.893   3.575   4.684
   65   1HG   MET   7          1HG       MET   7 -13.563   5.755   4.011
   66   2HG   MET   7          2HG       MET   7 -12.451   5.758   2.643
   67   1HE   MET   7          1HE       MET   7 -15.496   4.906   4.269
   68   2HE   MET   7          2HE       MET   7 -16.619   4.239   3.075
   69   3HE   MET   7          3HE       MET   7 -15.487   3.181   3.913
   70    QB   MET   7           QB       MET   7 -12.490   3.419   3.916
   71    QG   MET   7           QG       MET   7 -13.007   5.756   3.327
   72    ME   MET   7           ME       MET   7 -15.867   4.109   3.752
   73    H    ALA   8           H        ALA   8 -10.870   6.632   3.004
   74    HA   ALA   8           HA       ALA   8  -9.028   5.562   0.985
   75   1HB   ALA   8          1HB       ALA   8 -10.960   6.985   0.371
   76   2HB   ALA   8          3HB       ALA   8  -9.429   7.655  -0.192
   77   3HB   ALA   8          2HB       ALA   8 -10.216   8.332   1.232
   78    MB   ALA   8           MB       ALA   8 -10.202   7.658   0.471
   79    H    ASP   9           H        ASP   9  -8.575   7.760   3.718
   80    HA   ASP   9           HA       ASP   9  -6.615   9.398   3.052
   81   1HB   ASP   9          1HB       ASP   9  -7.638   8.667   5.361
   82   2HB   ASP   9          2HB       ASP   9  -6.120   7.782   5.507
   83    QB   ASP   9           QB       ASP   9  -6.879   8.225   5.434
   84    H    THR  10           H        THR  10  -4.493   8.177   4.789
   85    HA   THR  10           HA       THR  10  -2.305   7.987   3.277
   86    HB   THR  10           HB       THR  10  -2.941   6.169   5.608
   87    HG1  THR  10           HG1      THR  10  -1.305   8.165   6.178
   88   1HG2  THR  10          1HG2      THR  10  -0.492   6.649   3.986
   89   2HG2  THR  10          2HG2      THR  10  -0.286   6.547   5.735
   90   3HG2  THR  10          3HG2      THR  10  -1.003   5.200   4.851
   91    MG   THR  10           MG       THR  10  -0.593   6.132   4.857
   92    H    PHE  11           H        PHE  11  -3.219   7.034   1.248
   93    HA   PHE  11           HA       PHE  11  -3.202   5.267  -0.321
   94   1HB   PHE  11          2HB       PHE  11  -2.087   3.213   0.221
   95   2HB   PHE  11          1HB       PHE  11  -2.115   3.596   1.938
   96    HD1  PHE  11           HD1      PHE  11  -0.967   5.118  -1.303
   97    HD2  PHE  11           HD2      PHE  11  -0.174   4.506   2.874
   98    HE1  PHE  11           HE1      PHE  11   1.197   6.305  -1.541
   99    HE2  PHE  11           HE2      PHE  11   1.990   5.694   2.636
  100    HZ   PHE  11           HZ       PHE  11   2.676   6.594   0.429
  101    QB   PHE  11           QB       PHE  11  -2.101   3.405   1.079
  102    QD   PHE  11           QD       PHE  11  -0.570   4.812   0.785
  103    QE   PHE  11           QE       PHE  11   1.594   6.000   0.548
  104    QR   PHE  11           QR       PHE  11   0.945   5.643   0.619
  105    H    LEU  12           H        LEU  12  -4.983   5.528   2.392
  106    HA   LEU  12           HA       LEU  12  -6.227   2.982   2.539
  107   1HB   LEU  12          1HB       LEU  12  -6.154   5.408   3.952
  108   2HB   LEU  12          2HB       LEU  12  -7.801   5.305   3.377
  109    HG   LEU  12           HG       LEU  12  -8.042   3.069   4.365
  110   1HD1  LEU  12          1HD1      LEU  12  -5.102   3.407   4.650
  111   2HD1  LEU  12          2HD1      LEU  12  -5.929   2.571   5.964
  112   3HD1  LEU  12          3HD1      LEU  12  -6.039   1.952   4.315
  113   1HD2  LEU  12          1HD2      LEU  12  -8.139   5.330   5.744
  114   2HD2  LEU  12          2HD2      LEU  12  -8.237   3.777   6.574
  115   3HD2  LEU  12          3HD2      LEU  12  -6.710   4.659   6.533
  116    MD1  LEU  12           MD1      LEU  12  -5.690   2.644   4.976
  117    MD2  LEU  12           MD2      LEU  12  -7.695   4.589   6.284
  118    QB   LEU  12           QB       LEU  12  -6.978   5.357   3.665
  119    QD   LEU  12           QD       LEU  12  -6.693   3.616   5.630
  120    H    ASP  13           H        ASP  13  -6.145   5.564   0.315
  121    HA   ASP  13           HA       ASP  13  -8.804   5.515  -0.759
  122   1HB   ASP  13          1HB       ASP  13  -6.595   6.985  -1.273
  123   2HB   ASP  13          2HB       ASP  13  -6.530   5.866  -2.634
  124    QB   ASP  13           QB       ASP  13  -6.562   6.425  -1.954
  125    H    ASN  14           H        ASN  14  -5.882   3.938  -2.113
  126    HA   ASN  14           HA       ASN  14  -7.531   2.148  -3.727
  127   1HB   ASN  14          1HB       ASN  14  -4.764   2.921  -3.603
  128   2HB   ASN  14          2HB       ASN  14  -4.866   1.162  -3.527
  129   2HD2  ASN  14          1HD2      ASN  14  -4.785   0.261  -5.584
  130   1HD2  ASN  14          2HD2      ASN  14  -5.457   0.951  -6.982
  131    QB   ASN  14           QB       ASN  14  -4.815   2.042  -3.565
  132    QD   ASN  14           QD       ASN  14  -5.121   0.606  -6.283
  133    H    MET  15           H        MET  15  -5.375   1.773  -0.915
  134    HA   MET  15           HA       MET  15  -5.113  -0.079   0.539
  135   1HB   MET  15          1HB       MET  15  -7.375   1.266   1.033
  136   2HB   MET  15          2HB       MET  15  -8.088  -0.291   0.613
  137   1HG   MET  15          1HG       MET  15  -6.052  -1.085   2.246
  138   2HG   MET  15          2HG       MET  15  -6.474   0.468   2.969
  139   1HE   MET  15          1HE       MET  15  -6.448  -1.612   4.554
  140   2HE   MET  15          2HE       MET  15  -7.993  -2.103   5.262
  141   3HE   MET  15          3HE       MET  15  -7.258  -3.071   3.987
  142    QB   MET  15           QB       MET  15  -7.731   0.487   0.823
  143    QG   MET  15           QG       MET  15  -6.263  -0.309   2.607
  144    ME   MET  15           ME       MET  15  -7.233  -2.262   4.601
  145    H    ARG  16           H        ARG  16  -4.675  -1.159  -1.861
  146    HA   ARG  16           HA       ARG  16  -6.555  -3.458  -2.132
  147   1HB   ARG  16          1HB       ARG  16  -4.875  -1.926  -3.994
  148   2HB   ARG  16          2HB       ARG  16  -4.727  -3.672  -4.195
  149   1HG   ARG  16          1HG       ARG  16  -7.197  -3.853  -4.330
  150   2HG   ARG  16          2HG       ARG  16  -7.320  -2.099  -4.180
  151   1HD   ARG  16          1HD       ARG  16  -5.814  -1.942  -6.229
  152   2HD   ARG  16          2HD       ARG  16  -6.058  -3.677  -6.433
  153    HE   ARG  16           HE       ARG  16  -8.382  -3.251  -6.944
  154   1HH1  ARG  16          1HH1      ARG  16  -6.311  -0.708  -7.546
  155   2HH1  ARG  16          2HH1      ARG  16  -7.536   0.514  -7.639
  156   1HH2  ARG  16          1HH2      ARG  16 -10.070  -1.567  -6.509
  157   2HH2  ARG  16          2HH2      ARG  16  -9.664   0.027  -7.051
  158    QB   ARG  16           QB       ARG  16  -4.801  -2.799  -4.095
  159    QG   ARG  16           QG       ARG  16  -7.259  -2.976  -4.255
  160    QD   ARG  16           QD       ARG  16  -5.936  -2.809  -6.331
  161    QH1  ARG  16           QH1      ARG  16  -6.924  -0.097  -7.592
  162    QH2  ARG  16           QH2      ARG  16  -9.867  -0.770  -6.780
  163    H    VAL  17           H        VAL  17  -5.125  -3.763   0.106
  164    HA   VAL  17           HA       VAL  17  -3.784  -5.415   1.129
  165    HB   VAL  17           HB       VAL  17  -2.823  -6.281  -1.592
  166   1HG1  VAL  17          1HG1      VAL  17  -2.499  -7.190   1.064
  167   2HG1  VAL  17          2HG1      VAL  17  -3.582  -8.342   0.284
  168   3HG1  VAL  17          3HG1      VAL  17  -1.995  -8.012  -0.412
  169   1HG2  VAL  17          1HG2      VAL  17  -5.566  -6.424  -0.457
  170   2HG2  VAL  17          2HG2      VAL  17  -5.045  -6.448  -2.142
  171   3HG2  VAL  17          3HG2      VAL  17  -4.942  -7.915  -1.167
  172    MG1  VAL  17           MG1      VAL  17  -2.692  -7.848   0.312
  173    MG2  VAL  17           MG2      VAL  17  -5.184  -6.929  -1.255
  174    QG   VAL  17           QG       VAL  17  -3.938  -7.388  -0.472
  175    H    GLY  18           H        GLY  18  -2.813  -2.956   1.169
  176   1HA   GLY  18          1HA       GLY  18  -0.480  -2.274  -0.213
  177   2HA   GLY  18          2HA       GLY  18  -0.798  -1.784   1.448
  178    QA   GLY  18           QA       GLY  18  -0.639  -2.029   0.617
  179   1HB   PRO  19          1HB       PRO  19   2.129  -4.362   5.296
  180   2HB   PRO  19          2HB       PRO  19   2.795  -2.957   4.447
  181   1HG   PRO  19          2HG       PRO  19   0.928  -1.858   5.249
  182   2HG   PRO  19          1HG       PRO  19   0.045  -3.370   5.520
  183   1HD   PRO  19          1HD       PRO  19  -1.096  -2.923   3.577
  184   2HD   PRO  19          2HD       PRO  19   0.010  -1.596   3.165
  185    QB   PRO  19           QB       PRO  19   2.462  -3.660   4.871
  186    QG   PRO  19           QG       PRO  19   0.487  -2.614   5.384
  187    QD   PRO  19           QD       PRO  19  -0.543  -2.260   3.371
  188    H    ARG  20           H        ARG  20   0.065  -5.223   4.909
  189    HA   ARG  20           HA       ARG  20  -0.958  -7.296   5.322
  190   1HB   ARG  20          1HB       ARG  20  -1.267  -7.342   2.814
  191   2HB   ARG  20          2HB       ARG  20   0.267  -8.206   2.701
  192   1HG   ARG  20          1HG       ARG  20  -0.768 -10.138   3.177
  193   2HG   ARG  20          2HG       ARG  20  -1.321  -9.471   4.713
  194   1HD   ARG  20          1HD       ARG  20  -3.309  -8.572   3.696
  195   2HD   ARG  20          2HD       ARG  20  -2.720  -8.952   2.078
  196    HE   ARG  20           HE       ARG  20  -2.893 -11.329   3.719
  197   1HH1  ARG  20          1HH1      ARG  20  -3.847 -10.225   0.820
  198   2HH1  ARG  20          2HH1      ARG  20  -5.477 -10.808   0.877
  199   1HH2  ARG  20          1HH2      ARG  20  -5.361 -11.586   4.255
  200   2HH2  ARG  20          2HH2      ARG  20  -6.335 -11.578   2.822
  201    QB   ARG  20           QB       ARG  20  -0.500  -7.774   2.758
  202    QG   ARG  20           QG       ARG  20  -1.045  -9.805   3.945
  203    QD   ARG  20           QD       ARG  20  -3.014  -8.762   2.887
  204    QH1  ARG  20           QH1      ARG  20  -4.662 -10.517   0.849
  205    QH2  ARG  20           QH2      ARG  20  -5.848 -11.582   3.539
  206    H    THR  21           H        THR  21   2.112  -6.584   5.599
  207    HA   THR  21           HA       THR  21   2.948  -9.375   6.288
  208    HB   THR  21           HB       THR  21   4.731  -7.019   5.598
  209    HG1  THR  21           HG1      THR  21   5.106  -8.663   3.785
  210   1HG2  THR  21          1HG2      THR  21   5.735  -8.668   7.138
  211   2HG2  THR  21          2HG2      THR  21   5.334  -9.961   6.007
  212   3HG2  THR  21          3HG2      THR  21   6.505  -8.721   5.552
  213    MG   THR  21           MG       THR  21   5.858  -9.117   6.232
  214    H    TYR  22           H        TYR  22   1.945  -9.086   8.409
  215    HA   TYR  22           HA       TYR  22   3.387  -7.131  10.155
  216   1HB   TYR  22          1HB       TYR  22   1.209  -8.218  11.587
  217   2HB   TYR  22          2HB       TYR  22   1.343  -6.590  10.929
  218    HD1  TYR  22           HD1      TYR  22   0.475  -6.089   8.641
  219    HD2  TYR  22           HD2      TYR  22  -0.174  -9.883  10.547
  220    HE1  TYR  22           HE1      TYR  22  -1.330  -6.594   7.019
  221    HE2  TYR  22           HE2      TYR  22  -1.980 -10.389   8.923
  222    HH   TYR  22           HH       TYR  22  -2.479  -9.529   6.406
  223    QB   TYR  22           QB       TYR  22   1.276  -7.404  11.258
  224    QD   TYR  22           QD       TYR  22   0.150  -7.986   9.594
  225    QE   TYR  22           QE       TYR  22  -1.655  -8.492   7.971
  226    QR   TYR  22           QR       TYR  22  -0.752  -8.239   8.782
  227    H    ALA  23           H        ALA  23   1.927 -10.410  10.393
  228    HA   ALA  23           HA       ALA  23   3.132 -11.240  12.734
  229   1HB   ALA  23          3HB       ALA  23   1.942 -13.028  12.022
  230   2HB   ALA  23          2HB       ALA  23   3.409 -13.490  11.158
  231   3HB   ALA  23          1HB       ALA  23   2.146 -12.580  10.328
  232    MB   ALA  23           MB       ALA  23   2.499 -13.033  11.169
  233    H    ASP  24           H        ASP  24   4.597 -10.830   9.630
  234    HA   ASP  24           HA       ASP  24   7.120 -12.110  10.350
  235   1HB   ASP  24          1HB       ASP  24   5.904 -10.979   7.964
  236   2HB   ASP  24          2HB       ASP  24   7.583 -10.464   8.135
  237    QB   ASP  24           QB       ASP  24   6.743 -10.722   8.050
  238    H    VAL  25           H        VAL  25   6.618  -8.749   9.219
  239    HA   VAL  25           HA       VAL  25   8.922  -7.556  10.066
  240    HB   VAL  25           HB       VAL  25   6.144  -6.423  10.513
  241   1HG1  VAL  25          1HG1      VAL  25   8.683  -5.412  11.253
  242   2HG1  VAL  25          2HG1      VAL  25   8.186  -4.507   9.825
  243   3HG1  VAL  25          3HG1      VAL  25   7.147  -4.547  11.249
  244   1HG2  VAL  25          1HG2      VAL  25   8.038  -6.432   8.152
  245   2HG2  VAL  25          2HG2      VAL  25   6.376  -7.020   8.206
  246   3HG2  VAL  25          3HG2      VAL  25   6.702  -5.289   8.293
  247    MG1  VAL  25           MG1      VAL  25   8.005  -4.822  10.776
  248    MG2  VAL  25           MG2      VAL  25   7.039  -6.247   8.217
  249    QG   VAL  25           QG       VAL  25   7.522  -5.534   9.496
  250    H    ARG  26           H        ARG  26   6.122  -8.114  12.186
  251    HA   ARG  26           HA       ARG  26   7.405  -7.156  14.587
  252   1HB   ARG  26          2HB       ARG  26   5.540  -8.156  15.750
  253   2HB   ARG  26          1HB       ARG  26   5.211  -9.260  14.415
  254   1HG   ARG  26          1HG       ARG  26   4.868  -6.247  14.444
  255   2HG   ARG  26          2HG       ARG  26   4.742  -7.224  12.983
  256   1HD   ARG  26          2HD       ARG  26   2.996  -8.614  14.232
  257   2HD   ARG  26          1HD       ARG  26   2.508  -6.981  13.778
  258    HE   ARG  26           HE       ARG  26   3.610  -7.408  16.506
  259   1HH1  ARG  26          1HH1      ARG  26   2.553  -5.025  16.870
  260   2HH1  ARG  26          2HH1      ARG  26   0.833  -5.167  17.010
  261   1HH2  ARG  26          1HH2      ARG  26   0.712  -8.331  15.599
  262   2HH2  ARG  26          2HH2      ARG  26  -0.209  -7.038  16.290
  263    QB   ARG  26           QB       ARG  26   5.375  -8.708  15.083
  264    QG   ARG  26           QG       ARG  26   4.805  -6.736  13.714
  265    QD   ARG  26           QD       ARG  26   2.752  -7.797  14.005
  266    QH1  ARG  26           QH1      ARG  26   1.693  -5.096  16.940
  267    QH2  ARG  26           QH2      ARG  26   0.251  -7.684  15.945
  268    H    ASP  27           H        ASP  27   6.904 -10.617  13.504
  269    HA   ASP  27           HA       ASP  27   8.392 -11.921  15.508
  270   1HB   ASP  27          1HB       ASP  27   7.492 -13.171  13.568
  271   2HB   ASP  27          2HB       ASP  27   8.633 -12.367  12.489
  272    QB   ASP  27           QB       ASP  27   8.063 -12.769  13.028
  273    H    GLU  28           H        GLU  28   9.517  -9.660  13.114
  274    HA   GLU  28           HA       GLU  28  12.280 -10.018  13.573
  275   1HB   GLU  28          1HB       GLU  28  10.942  -8.508  11.777
  276   2HB   GLU  28          2HB       GLU  28  11.210  -7.291  13.026
  277   1HG   GLU  28          1HG       GLU  28  13.338  -7.045  12.345
  278   2HG   GLU  28          2HG       GLU  28  13.644  -8.752  12.664
  279    QB   GLU  28           QB       GLU  28  11.076  -7.900  12.401
  280    QG   GLU  28           QG       GLU  28  13.491  -7.898  12.504
  281    H    ILE  29           H        ILE  29  12.330 -10.345  15.729
  282    HA   ILE  29           HA       ILE  29  12.908  -9.466  17.932
  283    HB   ILE  29           HB       ILE  29  10.888  -7.283  17.218
  284   1HG1  ILE  29          1HG1      ILE  29  12.882  -6.970  15.864
  285   2HG1  ILE  29          2HG1      ILE  29  12.976  -5.827  17.205
  286   1HG2  ILE  29          1HG2      ILE  29  12.690  -7.827  19.600
  287   2HG2  ILE  29          2HG2      ILE  29  12.040  -6.221  19.272
  288   3HG2  ILE  29          3HG2      ILE  29  10.946  -7.569  19.586
  289   1HD1  ILE  29          1HD1      ILE  29  14.179  -8.103  18.234
  290   2HD1  ILE  29          2HD1      ILE  29  14.727  -8.082  16.557
  291   3HD1  ILE  29          3HD1      ILE  29  15.026  -6.692  17.600
  292    MG   ILE  29           MG       ILE  29  11.892  -7.206  19.486
  293    MD   ILE  29           MD       ILE  29  14.644  -7.626  17.464
  294    QG   ILE  29           QG       ILE  29  12.929  -6.398  16.534
  295    H    ASN  30           H        ASN  30  11.450 -11.649  17.624
  296    HA   ASN  30           HA       ASN  30   9.365 -12.730  17.847
  297   1HB   ASN  30          1HB       ASN  30   8.882 -12.922  20.216
  298   2HB   ASN  30          2HB       ASN  30  10.607 -13.061  19.884
  299   2HD2  ASN  30          1HD2      ASN  30  11.543 -12.131  21.764
  300   1HD2  ASN  30          2HD2      ASN  30  11.189 -10.567  22.321
  301    QB   ASN  30           QB       ASN  30   9.745 -12.992  20.050
  302    QD   ASN  30           QD       ASN  30  11.366 -11.349  22.043
  303    H    LYS  31           H        LYS  31   8.829 -10.343  16.662
  304    HA   LYS  31           HA       LYS  31   6.516  -9.589  16.251
  305   1HB   LYS  31          2HB       LYS  31   5.804 -10.658  18.492
  306   2HB   LYS  31          1HB       LYS  31   4.915  -9.270  17.887
  307   1HG   LYS  31          1HG       LYS  31   7.171  -9.090  19.914
  308   2HG   LYS  31          2HG       LYS  31   6.160  -7.767  19.351
  309   1HD   LYS  31          1HD       LYS  31   5.449  -8.704  21.571
  310   2HD   LYS  31          2HD       LYS  31   4.188  -8.752  20.337
  311   1HE   LYS  31          1HE       LYS  31   4.655 -11.104  19.892
  312   2HE   LYS  31          2HE       LYS  31   6.011 -11.077  21.019
  313   1HZ   LYS  31          1HZ       LYS  31   3.226 -10.437  21.805
  314   2HZ   LYS  31          2HZ       LYS  31   3.895 -11.989  21.936
  315   3HZ   LYS  31          3HZ       LYS  31   4.555 -10.702  22.828
  316    QB   LYS  31           QB       LYS  31   5.359  -9.964  18.189
  317    QD   LYS  31           QD       LYS  31   4.818  -8.728  20.954
  318    QG   LYS  31           QG       LYS  31   6.665  -8.429  19.632
  319    QE   LYS  31           QE       LYS  31   5.333 -11.090  20.456
  320    QZ   LYS  31           QZ       LYS  31   3.892 -11.042  22.190
  321    H    ARG  32           H        ARG  32   9.298  -8.058  16.832
  322    HA   ARG  32           HA       ARG  32   7.884  -5.441  17.097
  323   1HB   ARG  32          1HB       ARG  32   9.472  -6.384  19.061
  324   2HB   ARG  32          2HB       ARG  32  10.698  -5.629  18.049
  325   1HG   ARG  32          1HG       ARG  32   9.701  -3.494  18.222
  326   2HG   ARG  32          2HG       ARG  32   8.176  -4.163  18.805
  327   1HD   ARG  32          1HD       ARG  32   9.333  -4.920  20.876
  328   2HD   ARG  32          2HD       ARG  32  10.814  -4.153  20.303
  329    HE   ARG  32           HE       ARG  32   9.861  -2.285  21.409
  330   1HH1  ARG  32          1HH1      ARG  32   8.588  -1.776  18.693
  331   2HH1  ARG  32          2HH1      ARG  32   6.937  -1.498  19.140
  332   1HH2  ARG  32          1HH2      ARG  32   7.295  -2.853  22.314
  333   2HH2  ARG  32          2HH2      ARG  32   6.204  -2.109  21.192
  334    QB   ARG  32           QB       ARG  32  10.085  -6.007  18.555
  335    QG   ARG  32           QG       ARG  32   8.938  -3.828  18.514
  336    QD   ARG  32           QD       ARG  32  10.074  -4.537  20.589
  337    QH1  ARG  32           QH1      ARG  32   7.762  -1.637  18.916
  338    QH2  ARG  32           QH2      ARG  32   6.750  -2.481  21.753
  339    H    GLY  33           H        GLY  33  10.824  -4.394  16.774
  340   1HA   GLY  33          1HA       GLY  33  12.190  -3.719  14.995
  341   2HA   GLY  33          2HA       GLY  33  11.675  -5.179  14.151
  342    QA   GLY  33           QA       GLY  33  11.933  -4.449  14.573
  343    H    ARG  34           H        ARG  34  11.707  -1.943  13.800
  344    HA   ARG  34           HA       ARG  34   9.004  -1.780  12.557
  345   1HB   ARG  34          1HB       ARG  34  10.633   0.077  13.996
  346   2HB   ARG  34          2HB       ARG  34  10.440   0.685  12.350
  347   1HG   ARG  34          1HG       ARG  34   7.914  -0.341  13.193
  348   2HG   ARG  34          2HG       ARG  34   8.524   0.704  14.476
  349   1HD   ARG  34          2HD       ARG  34   9.091   2.000  12.011
  350   2HD   ARG  34          1HD       ARG  34   7.947   2.503  13.257
  351    HE   ARG  34           HE       ARG  34   6.300   0.929  12.043
  352   1HH1  ARG  34          1HH1      ARG  34   8.441   3.195  10.697
  353   2HH1  ARG  34          2HH1      ARG  34   7.975   2.895   9.056
  354   1HH2  ARG  34          1HH2      ARG  34   5.919   0.218   9.849
  355   2HH2  ARG  34          2HH2      ARG  34   6.548   1.209   8.575
  356    QB   ARG  34           QB       ARG  34  10.536   0.381  13.173
  357    QG   ARG  34           QG       ARG  34   8.219   0.182  13.835
  358    QD   ARG  34           QD       ARG  34   8.519   2.252  12.634
  359    QH1  ARG  34           QH1      ARG  34   8.208   3.045   9.877
  360    QH2  ARG  34           QH2      ARG  34   6.234   0.713   9.212

  No H/Q in entry =         360
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -22.006   3.433   1.258
    2    H2   MET   1           H2       MET   1 -21.266   4.016  -0.152
    3    H3   MET   1           H3       MET   1 -20.842   2.489   0.459
    4    HA   MET   1           HA       MET   1 -19.087   3.703   1.224
    5   1HB   MET   1          1HB       MET   1 -19.464   6.073   2.102
    6   2HB   MET   1          2HB       MET   1 -19.699   5.853   0.367
    7   1HG   MET   1          2HG       MET   1 -22.199   5.333   1.149
    8   2HG   MET   1          1HG       MET   1 -21.650   6.984   0.858
    9   1HE   MET   1          1HE       MET   1 -24.057   5.758   2.627
   10   2HE   MET   1          2HE       MET   1 -24.092   6.836   4.020
   11   3HE   MET   1          3HE       MET   1 -23.897   7.505   2.402
   12    QB   MET   1           QB       MET   1 -19.581   5.963   1.235
   13    QG   MET   1           QG       MET   1 -21.924   6.158   1.004
   14    ME   MET   1           ME       MET   1 -24.016   6.700   3.016
   15    H    SER   2           H        SER   2 -18.438   4.319   3.504
   16    HA   SER   2           HA       SER   2 -20.437   3.942   5.608
   17   1HB   SER   2          1HB       SER   2 -18.267   1.861   5.199
   18   2HB   SER   2          2HB       SER   2 -19.385   1.924   6.559
   19    HG   SER   2           HG       SER   2 -19.815   1.217   3.896
   20    QB   SER   2           QB       SER   2 -18.826   1.893   5.879
   21    H    TRP   3           H        TRP   3 -19.152   6.171   5.505
   22    HA   TRP   3           HA       TRP   3 -17.381   7.538   6.332
   23   1HB   TRP   3          1HB       TRP   3 -19.062   6.843   8.223
   24   2HB   TRP   3          2HB       TRP   3 -17.692   5.916   8.839
   25    HD1  TRP   3           HD1      TRP   3 -15.484   7.290   9.527
   26    HE1  TRP   3           HE1      TRP   3 -15.175   9.744  10.259
   27    HE3  TRP   3           HE3      TRP   3 -19.920   9.253   7.931
   28    HZ2  TRP   3           HZ2      TRP   3 -16.621  12.212  10.179
   29    HZ3  TRP   3           HZ3      TRP   3 -20.428  11.654   8.271
   30    HH2  TRP   3           HH2      TRP   3 -18.785  13.135   9.393
   31    QB   TRP   3           QB       TRP   3 -18.377   6.380   8.531
   32    H    ALA   4           H        ALA   4 -15.931   5.798   4.862
   33    HA   ALA   4           HA       ALA   4 -14.027   4.419   6.677
   34   1HB   ALA   4          1HB       ALA   4 -15.103   3.690   4.239
   35   2HB   ALA   4          3HB       ALA   4 -13.663   2.979   4.968
   36   3HB   ALA   4          2HB       ALA   4 -13.503   4.285   3.793
   37    MB   ALA   4           MB       ALA   4 -14.090   3.651   4.333
   38    H    LEU   5           H        LEU   5 -14.120   7.384   6.453
   39    HA   LEU   5           HA       LEU   5 -12.159   8.447   4.769
   40   1HB   LEU   5          1HB       LEU   5 -12.209  10.344   6.081
   41   2HB   LEU   5          2HB       LEU   5 -13.695   9.574   6.612
   42    HG   LEU   5           HG       LEU   5 -12.572  10.301   8.584
   43   1HD1  LEU   5          1HD1      LEU   5 -13.029   7.560   8.097
   44   2HD1  LEU   5          2HD1      LEU   5 -11.524   7.659   9.007
   45   3HD1  LEU   5          3HD1      LEU   5 -12.993   8.386   9.650
   46   1HD2  LEU   5          1HD2      LEU   5 -10.221   9.811   7.047
   47   2HD2  LEU   5          2HD2      LEU   5 -10.352  10.613   8.612
   48   3HD2  LEU   5          3HD2      LEU   5 -10.097   8.871   8.534
   49    MD1  LEU   5           MD1      LEU   5 -12.515   7.869   8.918
   50    MD2  LEU   5           MD2      LEU   5 -10.224   9.765   8.065
   51    QB   LEU   5           QB       LEU   5 -12.952   9.959   6.347
   52    QD   LEU   5           QD       LEU   5 -11.369   8.817   8.491
   53    H    GLU   6           H        GLU   6 -11.752   6.342   7.509
   54    HA   GLU   6           HA       GLU   6  -8.959   6.862   7.985
   55   1HB   GLU   6          1HB       GLU   6 -10.671   5.452   9.387
   56   2HB   GLU   6          2HB       GLU   6 -10.197   4.134   8.314
   57   1HG   GLU   6          1HG       GLU   6  -8.143   5.818   9.751
   58   2HG   GLU   6          2HG       GLU   6  -8.861   4.394  10.503
   59    QB   GLU   6           QB       GLU   6 -10.434   4.793   8.850
   60    QG   GLU   6           QG       GLU   6  -8.502   5.106  10.127
   61    H    MET   7           H        MET   7 -10.653   4.382   6.061
   62    HA   MET   7           HA       MET   7  -8.248   3.343   4.856
   63   1HB   MET   7          1HB       MET   7 -11.036   2.760   4.795
   64   2HB   MET   7          2HB       MET   7 -10.531   3.032   3.128
   65   1HG   MET   7          1HG       MET   7  -8.738   1.393   3.361
   66   2HG   MET   7          2HG       MET   7  -9.126   1.171   5.067
   67   1HE   MET   7          1HE       MET   7  -8.813  -1.206   3.926
   68   2HE   MET   7          2HE       MET   7  -9.914  -1.361   5.302
   69   3HE   MET   7          3HE       MET   7 -10.269  -2.190   3.787
   70    QB   MET   7           QB       MET   7 -10.783   2.896   3.961
   71    QG   MET   7           QG       MET   7  -8.932   1.282   4.214
   72    ME   MET   7           ME       MET   7  -9.665  -1.586   4.338
   73    H    ALA   8           H        ALA   8 -10.890   5.037   3.189
   74    HA   ALA   8           HA       ALA   8  -9.655   5.886   0.874
   75   1HB   ALA   8          1HB       ALA   8 -11.724   7.081   2.639
   76   2HB   ALA   8          2HB       ALA   8 -10.977   8.167   1.466
   77   3HB   ALA   8          3HB       ALA   8 -11.790   6.700   0.919
   78    MB   ALA   8           MB       ALA   8 -11.497   7.316   1.675
   79    H    ASP   9           H        ASP   9  -8.708   7.109   4.070
   80    HA   ASP   9           HA       ASP   9  -7.661   9.502   3.649
   81   1HB   ASP   9          1HB       ASP   9  -7.090   7.540   5.448
   82   2HB   ASP   9          2HB       ASP   9  -5.550   7.686   4.600
   83    QB   ASP   9           QB       ASP   9  -6.320   7.613   5.024
   84    H    THR  10           H        THR  10  -4.906   9.609   3.322
   85    HA   THR  10           HA       THR  10  -4.296  10.179   0.779
   86    HB   THR  10           HB       THR  10  -2.355   8.261   2.016
   87    HG1  THR  10           HG1      THR  10  -1.856  10.427   3.213
   88   1HG2  THR  10          1HG2      THR  10  -2.361  10.432   0.114
   89   2HG2  THR  10          2HG2      THR  10  -1.244  10.786   1.431
   90   3HG2  THR  10          3HG2      THR  10  -1.065   9.300   0.499
   91    MG   THR  10           MG       THR  10  -1.557  10.173   0.681
   92    H    PHE  11           H        PHE  11  -5.988   8.828  -0.286
   93    HA   PHE  11           HA       PHE  11  -6.839   6.909  -1.323
   94   1HB   PHE  11          1HB       PHE  11  -4.846   5.800  -2.714
   95   2HB   PHE  11          2HB       PHE  11  -5.688   7.262  -3.222
   96    HD1  PHE  11           HD1      PHE  11  -4.729   9.527  -2.293
   97    HD2  PHE  11           HD2      PHE  11  -2.509   5.854  -2.459
   98    HE1  PHE  11           HE1      PHE  11  -2.608  10.803  -2.151
   99    HE2  PHE  11           HE2      PHE  11  -0.389   7.128  -2.319
  100    HZ   PHE  11           HZ       PHE  11  -0.436   9.603  -2.165
  101    QB   PHE  11           QB       PHE  11  -5.267   6.531  -2.968
  102    QD   PHE  11           QD       PHE  11  -3.619   7.690  -2.376
  103    QE   PHE  11           QE       PHE  11  -1.498   8.966  -2.235
  104    QR   PHE  11           QR       PHE  11  -2.134   8.583  -2.277
  105    H    LEU  12           H        LEU  12  -5.934   6.659   1.288
  106    HA   LEU  12           HA       LEU  12  -4.399   4.275   1.686
  107   1HB   LEU  12          1HB       LEU  12  -5.562   6.390   3.277
  108   2HB   LEU  12          2HB       LEU  12  -6.041   4.835   3.955
  109    HG   LEU  12           HG       LEU  12  -3.342   4.496   3.300
  110   1HD1  LEU  12          1HD1      LEU  12  -3.925   7.297   3.752
  111   2HD1  LEU  12          2HD1      LEU  12  -2.879   6.675   5.029
  112   3HD1  LEU  12          3HD1      LEU  12  -2.387   6.537   3.341
  113   1HD2  LEU  12          1HD2      LEU  12  -4.979   4.858   5.773
  114   2HD2  LEU  12          2HD2      LEU  12  -4.010   3.477   5.264
  115   3HD2  LEU  12          3HD2      LEU  12  -3.225   4.902   5.943
  116    MD1  LEU  12           MD1      LEU  12  -3.064   6.836   4.041
  117    MD2  LEU  12           MD2      LEU  12  -4.072   4.412   5.660
  118    QB   LEU  12           QB       LEU  12  -5.802   5.612   3.616
  119    QD   LEU  12           QD       LEU  12  -3.568   5.624   4.850
  120    H    ASP  13           H        ASP  13  -7.650   5.109   0.888
  121    HA   ASP  13           HA       ASP  13  -9.066   2.884   1.978
  122   1HB   ASP  13          1HB       ASP  13 -10.528   4.324   0.895
  123   2HB   ASP  13          2HB       ASP  13  -9.461   4.541  -0.492
  124    QB   ASP  13           QB       ASP  13  -9.995   4.432   0.202
  125    H    ASN  14           H        ASN  14  -7.768   3.024  -1.358
  126    HA   ASN  14           HA       ASN  14  -8.089   0.279  -1.921
  127   1HB   ASN  14          1HB       ASN  14  -7.516   1.992  -3.624
  128   2HB   ASN  14          2HB       ASN  14  -5.895   2.112  -2.937
  129   2HD2  ASN  14          1HD2      ASN  14  -4.592   1.107  -4.513
  130   1HD2  ASN  14          2HD2      ASN  14  -4.857  -0.460  -5.111
  131    QB   ASN  14           QB       ASN  14  -6.706   2.052  -3.281
  132    QD   ASN  14           QD       ASN  14  -4.724   0.324  -4.812
  133    H    MET  15           H        MET  15  -5.275   1.986  -0.563
  134    HA   MET  15           HA       MET  15  -3.205   1.014   0.187
  135   1HB   MET  15          1HB       MET  15  -4.773   1.278   2.133
  136   2HB   MET  15          2HB       MET  15  -5.233  -0.411   1.928
  137   1HG   MET  15          1HG       MET  15  -2.693  -0.901   2.062
  138   2HG   MET  15          2HG       MET  15  -2.556   0.728   2.723
  139   1HE   MET  15          1HE       MET  15  -1.726   0.515   4.580
  140   2HE   MET  15          2HE       MET  15  -3.045   1.087   5.610
  141   3HE   MET  15          3HE       MET  15  -2.190  -0.401   6.011
  142    QB   MET  15           QB       MET  15  -5.003   0.434   2.030
  143    QG   MET  15           QG       MET  15  -2.625  -0.087   2.393
  144    ME   MET  15           ME       MET  15  -2.320   0.400   5.401
  145    H    ARG  16           H        ARG  16  -3.831  -0.389  -2.107
  146    HA   ARG  16           HA       ARG  16  -3.919  -3.259  -1.493
  147   1HB   ARG  16          1HB       ARG  16  -4.881  -1.929  -3.579
  148   2HB   ARG  16          2HB       ARG  16  -3.263  -2.215  -4.219
  149   1HG   ARG  16          1HG       ARG  16  -3.624  -4.445  -4.471
  150   2HG   ARG  16          2HG       ARG  16  -4.502  -4.570  -2.947
  151   1HD   ARG  16          2HD       ARG  16  -6.363  -3.232  -4.229
  152   2HD   ARG  16          1HD       ARG  16  -6.202  -4.967  -4.499
  153    HE   ARG  16           HE       ARG  16  -4.917  -4.386  -6.583
  154   1HH1  ARG  16          1HH1      ARG  16  -4.239  -1.711  -6.709
  155   2HH1  ARG  16          2HH1      ARG  16  -5.604  -0.881  -7.379
  156   1HH2  ARG  16          1HH2      ARG  16  -7.831  -3.456  -6.718
  157   2HH2  ARG  16          2HH2      ARG  16  -7.637  -1.868  -7.384
  158    QB   ARG  16           QB       ARG  16  -4.072  -2.072  -3.899
  159    QG   ARG  16           QG       ARG  16  -4.063  -4.507  -3.709
  160    QD   ARG  16           QD       ARG  16  -6.282  -4.099  -4.364
  161    QH1  ARG  16           QH1      ARG  16  -4.921  -1.296  -7.044
  162    QH2  ARG  16           QH2      ARG  16  -7.734  -2.662  -7.051
  163    H    VAL  17           H        VAL  17  -1.750  -2.498  -0.189
  164    HA   VAL  17           HA       VAL  17   0.508  -3.153   0.014
  165    HB   VAL  17           HB       VAL  17   0.525  -3.937  -2.891
  166   1HG1  VAL  17          1HG1      VAL  17   2.463  -4.040  -1.043
  167   2HG1  VAL  17          2HG1      VAL  17   1.657  -5.560  -0.657
  168   3HG1  VAL  17          3HG1      VAL  17   2.292  -5.286  -2.280
  169   1HG2  VAL  17          1HG2      VAL  17  -1.226  -4.968  -0.785
  170   2HG2  VAL  17          2HG2      VAL  17  -1.256  -5.284  -2.520
  171   3HG2  VAL  17          3HG2      VAL  17  -0.191  -6.221  -1.471
  172    MG1  VAL  17           MG1      VAL  17   2.137  -4.962  -1.327
  173    MG2  VAL  17           MG2      VAL  17  -0.891  -5.491  -1.592
  174    QG   VAL  17           QG       VAL  17   0.623  -5.227  -1.459
  175    H    GLY  18           H        GLY  18  -0.166  -0.490  -0.542
  176   1HA   GLY  18          1HA       GLY  18   1.515   1.275  -0.878
  177   2HA   GLY  18          2HA       GLY  18   2.180   0.318  -2.202
  178    QA   GLY  18           QA       GLY  18   1.848   0.796  -1.540
  179   1HB   PRO  19          1HB       PRO  19   1.043   4.870  -5.347
  180   2HB   PRO  19          2HB       PRO  19   0.576   5.260  -3.681
  181   1HG   PRO  19          2HG       PRO  19   2.816   4.933  -3.210
  182   2HG   PRO  19          1HG       PRO  19   3.078   3.981  -4.681
  183   1HD   PRO  19          1HD       PRO  19   3.002   2.111  -3.348
  184   2HD   PRO  19          2HD       PRO  19   2.417   3.053  -1.960
  185    QB   PRO  19           QB       PRO  19   0.810   5.065  -4.514
  186    QG   PRO  19           QG       PRO  19   2.947   4.457  -3.946
  187    QD   PRO  19           QD       PRO  19   2.710   2.582  -2.654
  188    H    ARG  20           H        ARG  20   1.469   1.159  -5.032
  189    HA   ARG  20           HA       ARG  20  -0.047   0.858  -7.551
  190   1HB   ARG  20          1HB       ARG  20   2.369   2.252  -7.541
  191   2HB   ARG  20          2HB       ARG  20   2.828   0.625  -8.045
  192   1HG   ARG  20          2HG       ARG  20   0.473   1.124  -9.453
  193   2HG   ARG  20          1HG       ARG  20   2.108   1.194 -10.110
  194   1HD   ARG  20          1HD       ARG  20   0.434   3.460  -9.014
  195   2HD   ARG  20          2HD       ARG  20   2.179   3.606  -9.218
  196    HE   ARG  20           HE       ARG  20   1.794   3.149 -11.663
  197   1HH1  ARG  20          1HH1      ARG  20  -1.189   2.938 -10.190
  198   2HH1  ARG  20          2HH1      ARG  20  -1.989   4.075 -11.223
  199   1HH2  ARG  20          1HH2      ARG  20   0.930   5.127 -12.772
  200   2HH2  ARG  20          2HH2      ARG  20  -0.790   5.312 -12.685
  201    QB   ARG  20           QB       ARG  20   2.598   1.438  -7.793
  202    QG   ARG  20           QG       ARG  20   1.290   1.159  -9.781
  203    QD   ARG  20           QD       ARG  20   1.307   3.533  -9.116
  204    QH1  ARG  20           QH1      ARG  20  -1.589   3.507 -10.706
  205    QH2  ARG  20           QH2      ARG  20   0.070   5.219 -12.729
  206    H    THR  21           H        THR  21   2.096  -0.987  -8.573
  207    HA   THR  21           HA       THR  21   1.960  -3.121  -6.492
  208    HB   THR  21           HB       THR  21   1.645  -4.095  -9.243
  209    HG1  THR  21           HG1      THR  21   0.159  -2.710  -9.744
  210   1HG2  THR  21          1HG2      THR  21   0.557  -4.582  -6.507
  211   2HG2  THR  21          2HG2      THR  21  -0.416  -5.107  -7.880
  212   3HG2  THR  21          3HG2      THR  21   1.222  -5.727  -7.671
  213    MG   THR  21           MG       THR  21   0.454  -5.139  -7.353
  214    H    TYR  22           H        TYR  22   3.666  -1.627  -9.148
  215    HA   TYR  22           HA       TYR  22   5.813  -3.692  -9.000
  216   1HB   TYR  22          1HB       TYR  22   5.240  -1.467 -10.986
  217   2HB   TYR  22          2HB       TYR  22   6.633  -2.539 -11.070
  218    HD1  TYR  22           HD1      TYR  22   6.268  -5.036 -11.266
  219    HD2  TYR  22           HD2      TYR  22   3.112  -2.169 -11.784
  220    HE1  TYR  22           HE1      TYR  22   4.901  -6.749 -12.424
  221    HE2  TYR  22           HE2      TYR  22   1.744  -3.884 -12.943
  222    HH   TYR  22           HH       TYR  22   2.122  -6.977 -12.735
  223    QB   TYR  22           QB       TYR  22   5.936  -2.003 -11.028
  224    QD   TYR  22           QD       TYR  22   4.690  -3.603 -11.525
  225    QE   TYR  22           QE       TYR  22   3.323  -5.317 -12.684
  226    QR   TYR  22           QR       TYR  22   4.006  -4.460 -12.104
  227    H    ALA  23           H        ALA  23   5.311  -0.126  -8.683
  228    HA   ALA  23           HA       ALA  23   6.876   1.427  -7.764
  229   1HB   ALA  23          3HB       ALA  23   6.490   0.587  -5.619
  230   2HB   ALA  23          2HB       ALA  23   8.211   0.251  -5.810
  231   3HB   ALA  23          1HB       ALA  23   7.029  -1.031  -6.067
  232    MB   ALA  23           MB       ALA  23   7.243  -0.064  -5.832
  233    H    ASP  24           H        ASP  24   7.503   0.250 -10.106
  234    HA   ASP  24           HA       ASP  24   9.342  -0.102 -11.549
  235   1HB   ASP  24          1HB       ASP  24  10.485   1.278  -9.235
  236   2HB   ASP  24          2HB       ASP  24  11.628   0.140  -9.949
  237    QB   ASP  24           QB       ASP  24  11.056   0.709  -9.592
  238    H    VAL  25           H        VAL  25   8.045  -2.146 -10.166
  239    HA   VAL  25           HA       VAL  25   8.224  -4.318  -9.312
  240    HB   VAL  25           HB       VAL  25   8.979  -4.777 -11.577
  241   1HG1  VAL  25          1HG1      VAL  25  11.692  -3.918 -10.533
  242   2HG1  VAL  25          2HG1      VAL  25  11.453  -4.761 -12.063
  243   3HG1  VAL  25          3HG1      VAL  25  10.760  -3.158 -11.823
  244   1HG2  VAL  25          1HG2      VAL  25   9.229  -6.484  -9.659
  245   2HG2  VAL  25          2HG2      VAL  25  10.114  -6.812 -11.148
  246   3HG2  VAL  25          3HG2      VAL  25  10.956  -6.143  -9.750
  247    MG1  VAL  25           MG1      VAL  25  11.302  -3.945 -11.473
  248    MG2  VAL  25           MG2      VAL  25  10.100  -6.480 -10.186
  249    QG   VAL  25           QG       VAL  25  10.701  -5.213 -10.829
  250    H    ARG  26           H        ARG  26   9.616  -1.998  -8.148
  251    HA   ARG  26           HA       ARG  26  11.962  -3.066  -6.702
  252   1HB   ARG  26          1HB       ARG  26  11.319  -0.539  -7.537
  253   2HB   ARG  26          2HB       ARG  26  10.637  -0.490  -5.909
  254   1HG   ARG  26          1HG       ARG  26  12.699  -0.419  -4.962
  255   2HG   ARG  26          2HG       ARG  26  13.316  -1.702  -6.002
  256   1HD   ARG  26          1HD       ARG  26  12.807   0.807  -7.435
  257   2HD   ARG  26          2HD       ARG  26  14.024   0.964  -6.168
  258    HE   ARG  26           HE       ARG  26  14.611  -1.387  -7.650
  259   1HH1  ARG  26          1HH1      ARG  26  13.716   0.803  -9.692
  260   2HH1  ARG  26          2HH1      ARG  26  15.266   1.419 -10.161
  261   1HH2  ARG  26          1HH2      ARG  26  16.950  -0.067  -7.518
  262   2HH2  ARG  26          2HH2      ARG  26  17.098   0.925  -8.930
  263    QB   ARG  26           QB       ARG  26  10.978  -0.515  -6.723
  264    QG   ARG  26           QG       ARG  26  13.008  -1.061  -5.482
  265    QD   ARG  26           QD       ARG  26  13.415   0.886  -6.802
  266    QH1  ARG  26           QH1      ARG  26  14.491   1.111  -9.926
  267    QH2  ARG  26           QH2      ARG  26  17.024   0.429  -8.224
  268    H    ASP  27           H        ASP  27   8.863  -1.533  -5.730
  269    HA   ASP  27           HA       ASP  27   8.781  -2.442  -3.041
  270   1HB   ASP  27          1HB       ASP  27   6.916  -1.142  -4.176
  271   2HB   ASP  27          2HB       ASP  27   6.411  -2.638  -4.962
  272    QB   ASP  27           QB       ASP  27   6.663  -1.890  -4.569
  273    H    GLU  28           H        GLU  28   8.628  -4.305  -5.965
  274    HA   GLU  28           HA       GLU  28   7.798  -6.752  -4.859
  275   1HB   GLU  28          1HB       GLU  28   8.263  -6.044  -7.388
  276   2HB   GLU  28          2HB       GLU  28   9.873  -6.658  -7.010
  277   1HG   GLU  28          1HG       GLU  28   8.249  -8.622  -5.968
  278   2HG   GLU  28          2HG       GLU  28   7.355  -8.125  -7.406
  279    QB   GLU  28           QB       GLU  28   9.068  -6.351  -7.199
  280    QG   GLU  28           QG       GLU  28   7.802  -8.374  -6.687
  281    H    ILE  29           H        ILE  29   8.774  -6.706  -2.900
  282    HA   ILE  29           HA       ILE  29  10.490  -7.607  -1.438
  283    HB   ILE  29           HB       ILE  29  12.436  -6.677  -3.610
  284   1HG1  ILE  29          1HG1      ILE  29  11.072  -9.345  -3.087
  285   2HG1  ILE  29          2HG1      ILE  29  11.301  -8.515  -4.620
  286   1HG2  ILE  29          1HG2      ILE  29  12.706  -8.394  -1.095
  287   2HG2  ILE  29          2HG2      ILE  29  13.995  -8.158  -2.273
  288   3HG2  ILE  29          3HG2      ILE  29  13.386  -6.787  -1.344
  289   1HD1  ILE  29          1HD1      ILE  29  13.847  -8.869  -4.164
  290   2HD1  ILE  29          2HD1      ILE  29  13.304 -10.089  -3.015
  291   3HD1  ILE  29          3HD1      ILE  29  12.892 -10.239  -4.723
  292    MG   ILE  29           MG       ILE  29  13.362  -7.780  -1.571
  293    MD   ILE  29           MD       ILE  29  13.347  -9.732  -3.967
  294    QG   ILE  29           QG       ILE  29  11.187  -8.930  -3.853
  295    H    ASN  30           H        ASN  30   9.235  -5.388  -0.842
  296    HA   ASN  30           HA       ASN  30   9.281  -3.035  -0.594
  297   1HB   ASN  30          1HB       ASN  30  11.051  -2.625   1.245
  298   2HB   ASN  30          2HB       ASN  30   9.655  -3.653   1.567
  299   2HD2  ASN  30          1HD2      ASN  30  12.845  -4.209  -0.049
  300   1HD2  ASN  30          2HD2      ASN  30  13.217  -5.607   0.840
  301    QB   ASN  30           QB       ASN  30  10.353  -3.139   1.406
  302    QD   ASN  30           QD       ASN  30  13.031  -4.908   0.396
  303    H    LYS  31           H        LYS  31  10.528  -3.505  -2.937
  304    HA   LYS  31           HA       LYS  31  11.712  -1.827  -4.271
  305   1HB   LYS  31          2HB       LYS  31  13.631  -0.607  -3.402
  306   2HB   LYS  31          1HB       LYS  31  13.533  -1.491  -1.888
  307   1HG   LYS  31          1HG       LYS  31  10.939  -0.483  -2.338
  308   2HG   LYS  31          2HG       LYS  31  12.108   0.107  -1.156
  309   1HD   LYS  31          1HD       LYS  31  13.092   1.583  -2.898
  310   2HD   LYS  31          2HD       LYS  31  11.857   1.034  -4.031
  311   1HE   LYS  31          1HE       LYS  31  10.130   1.816  -2.320
  312   2HE   LYS  31          2HE       LYS  31  11.463   2.619  -1.487
  313   1HZ   LYS  31          1HZ       LYS  31  11.974   3.713  -3.657
  314   2HZ   LYS  31          2HZ       LYS  31  10.503   3.102  -4.249
  315   3HZ   LYS  31          3HZ       LYS  31  10.506   4.191  -2.948
  316    QB   LYS  31           QB       LYS  31  13.582  -1.049  -2.645
  317    QD   LYS  31           QD       LYS  31  12.474   1.308  -3.465
  318    QG   LYS  31           QG       LYS  31  11.523  -0.188  -1.747
  319    QE   LYS  31           QE       LYS  31  10.796   2.218  -1.903
  320    QZ   LYS  31           QZ       LYS  31  10.995   3.669  -3.618
  321    H    ARG  32           H        ARG  32  12.122  -4.843  -4.033
  322    HA   ARG  32           HA       ARG  32  14.870  -4.753  -5.179
  323   1HB   ARG  32          1HB       ARG  32  14.304  -5.840  -2.643
  324   2HB   ARG  32          2HB       ARG  32  14.504  -7.213  -3.728
  325   1HG   ARG  32          1HG       ARG  32  16.585  -5.802  -4.583
  326   2HG   ARG  32          2HG       ARG  32  16.480  -5.104  -2.966
  327   1HD   ARG  32          1HD       ARG  32  17.198  -7.015  -1.965
  328   2HD   ARG  32          2HD       ARG  32  16.234  -8.040  -3.028
  329    HE   ARG  32           HE       ARG  32  18.213  -7.214  -4.713
  330   1HH1  ARG  32          1HH1      ARG  32  19.998  -6.635  -2.427
  331   2HH1  ARG  32          2HH1      ARG  32  20.768  -8.161  -2.144
  332   1HH2  ARG  32          1HH2      ARG  32  18.433  -9.977  -3.950
  333   2HH2  ARG  32          2HH2      ARG  32  19.881 -10.050  -3.004
  334    QB   ARG  32           QB       ARG  32  14.404  -6.526  -3.186
  335    QG   ARG  32           QG       ARG  32  16.532  -5.453  -3.774
  336    QD   ARG  32           QD       ARG  32  16.716  -7.528  -2.496
  337    QH1  ARG  32           QH1      ARG  32  20.383  -7.398  -2.286
  338    QH2  ARG  32           QH2      ARG  32  19.157 -10.013  -3.477
  339    H    GLY  33           H        GLY  33  13.852  -5.027  -7.255
  340   1HA   GLY  33          1HA       GLY  33  12.142  -7.384  -7.685
  341   2HA   GLY  33          2HA       GLY  33  12.603  -6.198  -8.906
  342    QA   GLY  33           QA       GLY  33  12.373  -6.791  -8.295
  343    H    ARG  34           H        ARG  34  13.421  -7.608 -10.465
  344    HA   ARG  34           HA       ARG  34  16.011  -8.877  -9.780
  345   1HB   ARG  34          1HB       ARG  34  13.727 -10.368 -11.108
  346   2HB   ARG  34          2HB       ARG  34  15.361 -10.993 -10.880
  347   1HG   ARG  34          1HG       ARG  34  15.119 -10.837  -8.453
  348   2HG   ARG  34          2HG       ARG  34  13.520 -10.114  -8.637
  349   1HD   ARG  34          1HD       ARG  34  13.470 -12.478 -10.174
  350   2HD   ARG  34          2HD       ARG  34  14.256 -12.909  -8.655
  351    HE   ARG  34           HE       ARG  34  12.209 -11.837  -7.540
  352   1HH1  ARG  34          1HH1      ARG  34  11.715 -11.819 -10.831
  353   2HH1  ARG  34          2HH1      ARG  34  10.233 -12.715 -10.806
  354   1HH2  ARG  34          1HH2      ARG  34  10.489 -13.557  -7.452
  355   2HH2  ARG  34          2HH2      ARG  34   9.538 -13.699  -8.894
  356    QB   ARG  34           QB       ARG  34  14.544 -10.680 -10.994
  357    QG   ARG  34           QG       ARG  34  14.320 -10.475  -8.545
  358    QD   ARG  34           QD       ARG  34  13.863 -12.694  -9.415
  359    QH1  ARG  34           QH1      ARG  34  10.974 -12.267 -10.818
  360    QH2  ARG  34           QH2      ARG  34  10.013 -13.628  -8.173

  No H/Q in entry =         360
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1 -20.667   7.418   3.052
    2    H2   MET   1           H2       MET   1 -22.253   7.866   2.651
    3    H3   MET   1           H3       MET   1 -21.702   6.297   2.305
    4    HA   MET   1           HA       MET   1 -20.809   6.902   0.379
    5   1HB   MET   1          1HB       MET   1 -22.907   8.671   1.015
    6   2HB   MET   1          2HB       MET   1 -21.631   9.678   0.327
    7   1HG   MET   1          1HG       MET   1 -21.725   7.344  -1.263
    8   2HG   MET   1          2HG       MET   1 -23.401   7.839  -1.019
    9   1HE   MET   1          1HE       MET   1 -24.452   8.852  -2.326
   10   2HE   MET   1          2HE       MET   1 -24.172  10.390  -3.139
   11   3HE   MET   1          3HE       MET   1 -23.697   8.874  -3.917
   12    QB   MET   1           QB       MET   1 -22.269   9.175   0.671
   13    QG   MET   1           QG       MET   1 -22.563   7.592  -1.141
   14    ME   MET   1           ME       MET   1 -24.107   9.372  -3.127
   15    H    SER   2           H        SER   2 -20.203   9.272   2.927
   16    HA   SER   2           HA       SER   2 -17.422   9.524   1.943
   17   1HB   SER   2          1HB       SER   2 -19.454  11.633   1.768
   18   2HB   SER   2          2HB       SER   2 -18.009  12.137   2.639
   19    HG   SER   2           HG       SER   2 -18.321  11.943   0.048
   20    QB   SER   2           QB       SER   2 -18.731  11.885   2.203
   21    H    TRP   3           H        TRP   3 -17.867   8.094   4.104
   22    HA   TRP   3           HA       TRP   3 -17.558   9.939   6.433
   23   1HB   TRP   3          1HB       TRP   3 -19.230   7.707   6.075
   24   2HB   TRP   3          2HB       TRP   3 -17.936   7.142   7.130
   25    HD1  TRP   3           HD1      TRP   3 -18.224   7.671   9.594
   26    HE1  TRP   3           HE1      TRP   3 -19.632   9.330  10.975
   27    HE3  TRP   3           HE3      TRP   3 -20.379  10.355   5.821
   28    HZ2  TRP   3           HZ2      TRP   3 -21.435  11.508  10.539
   29    HZ3  TRP   3           HZ3      TRP   3 -21.937  12.213   6.332
   30    HH2  TRP   3           HH2      TRP   3 -22.466  12.793   8.683
   31    QB   TRP   3           QB       TRP   3 -18.583   7.425   6.603
   32    H    ALA   4           H        ALA   4 -16.236   8.426   8.243
   33    HA   ALA   4           HA       ALA   4 -13.982   7.947   8.785
   34   1HB   ALA   4          1HB       ALA   4 -14.582   5.978   6.559
   35   2HB   ALA   4          3HB       ALA   4 -14.883   5.738   8.280
   36   3HB   ALA   4          2HB       ALA   4 -13.228   5.844   7.681
   37    MB   ALA   4           MB       ALA   4 -14.231   5.853   7.507
   38    H    LEU   5           H        LEU   5 -14.206  10.130   6.852
   39    HA   LEU   5           HA       LEU   5 -12.759  10.067   4.530
   40   1HB   LEU   5          1HB       LEU   5 -12.268  12.109   6.718
   41   2HB   LEU   5          2HB       LEU   5 -11.967  12.332   5.000
   42    HG   LEU   5           HG       LEU   5 -14.033  13.328   5.106
   43   1HD1  LEU   5          1HD1      LEU   5 -14.172  11.062   3.806
   44   2HD1  LEU   5          2HD1      LEU   5 -15.183  10.547   5.157
   45   3HD1  LEU   5          3HD1      LEU   5 -15.662  11.930   4.173
   46   1HD2  LEU   5          1HD2      LEU   5 -14.054  12.100   7.670
   47   2HD2  LEU   5          2HD2      LEU   5 -15.101  13.392   7.081
   48   3HD2  LEU   5          3HD2      LEU   5 -15.590  11.707   6.895
   49    MD1  LEU   5           MD1      LEU   5 -15.006  11.180   4.379
   50    MD2  LEU   5           MD2      LEU   5 -14.915  12.400   7.215
   51    QB   LEU   5           QB       LEU   5 -12.117  12.220   5.859
   52    QD   LEU   5           QD       LEU   5 -14.960  11.790   5.797
   53    H    GLU   6           H        GLU   6 -11.296  10.100   7.790
   54    HA   GLU   6           HA       GLU   6  -8.584  10.119   6.966
   55   1HB   GLU   6          1HB       GLU   6  -9.542  10.327   9.342
   56   2HB   GLU   6          2HB       GLU   6  -9.593   8.564   9.351
   57   1HG   GLU   6          1HG       GLU   6  -7.225   8.400   9.052
   58   2HG   GLU   6          2HG       GLU   6  -7.087  10.117   8.675
   59    QB   GLU   6           QB       GLU   6  -9.568   9.446   9.347
   60    QG   GLU   6           QG       GLU   6  -7.156   9.259   8.863
   61    H    MET   7           H        MET   7 -10.390   7.224   8.064
   62    HA   MET   7           HA       MET   7  -8.512   5.320   7.165
   63   1HB   MET   7          1HB       MET   7 -10.918   5.202   8.459
   64   2HB   MET   7          2HB       MET   7 -11.340   4.519   6.887
   65   1HG   MET   7          1HG       MET   7  -9.155   3.115   7.193
   66   2HG   MET   7          2HG       MET   7  -9.335   3.526   8.898
   67   1HE   MET   7          1HE       MET   7  -9.780   1.049   6.457
   68   2HE   MET   7          2HE       MET   7 -11.411   0.384   6.503
   69   3HE   MET   7          3HE       MET   7 -11.127   1.950   5.747
   70    QB   MET   7           QB       MET   7 -11.129   4.861   7.673
   71    QG   MET   7           QG       MET   7  -9.245   3.321   8.045
   72    ME   MET   7           ME       MET   7 -10.773   1.128   6.236
   73    H    ALA   8           H        ALA   8 -11.610   5.991   5.495
   74    HA   ALA   8           HA       ALA   8 -11.199   4.672   3.126
   75   1HB   ALA   8          3HB       ALA   8 -13.178   5.718   2.846
   76   2HB   ALA   8          2HB       ALA   8 -12.250   7.087   2.232
   77   3HB   ALA   8          1HB       ALA   8 -12.721   7.031   3.931
   78    MB   ALA   8           MB       ALA   8 -12.716   6.612   3.003
   79    H    ASP   9           H        ASP   9  -9.600   7.660   4.108
   80    HA   ASP   9           HA       ASP   9  -8.512   8.303   1.521
   81   1HB   ASP   9          1HB       ASP   9  -8.640   9.762   3.672
   82   2HB   ASP   9          2HB       ASP   9  -7.130   8.966   4.115
   83    QB   ASP   9           QB       ASP   9  -7.885   9.364   3.893
   84    H    THR  10           H        THR  10  -6.676   7.122   4.358
   85    HA   THR  10           HA       THR  10  -4.363   6.325   3.038
   86    HB   THR  10           HB       THR  10  -4.378   4.422   4.876
   87    HG1  THR  10           HG1      THR  10  -6.144   4.390   5.975
   88   1HG2  THR  10          1HG2      THR  10  -3.608   7.119   4.783
   89   2HG2  THR  10          2HG2      THR  10  -4.450   6.936   6.322
   90   3HG2  THR  10          3HG2      THR  10  -3.067   5.907   5.945
   91    MG   THR  10           MG       THR  10  -3.709   6.654   5.683
   92    H    PHE  11           H        PHE  11  -7.459   4.651   3.141
   93    HA   PHE  11           HA       PHE  11  -6.454   2.172   2.031
   94   1HB   PHE  11          1HB       PHE  11  -8.639   2.513   3.329
   95   2HB   PHE  11          2HB       PHE  11  -9.298   3.180   1.835
   96    HD1  PHE  11           HD1      PHE  11  -6.851   0.384   2.245
   97    HD2  PHE  11           HD2      PHE  11 -10.837   1.531   1.124
   98    HE1  PHE  11           HE1      PHE  11  -7.273  -1.907   1.400
   99    HE2  PHE  11           HE2      PHE  11 -11.258  -0.763   0.281
  100    HZ   PHE  11           HZ       PHE  11  -9.476  -2.482   0.419
  101    QB   PHE  11           QB       PHE  11  -8.969   2.847   2.582
  102    QD   PHE  11           QD       PHE  11  -8.844   0.957   1.684
  103    QE   PHE  11           QE       PHE  11  -9.266  -1.335   0.841
  104    QR   PHE  11           QR       PHE  11  -9.139  -0.648   1.094
  105    H    LEU  12           H        LEU  12  -7.953   5.085   0.663
  106    HA   LEU  12           HA       LEU  12  -8.125   4.095  -2.030
  107   1HB   LEU  12          1HB       LEU  12  -8.870   6.430  -0.695
  108   2HB   LEU  12          2HB       LEU  12  -7.641   6.968  -1.839
  109    HG   LEU  12           HG       LEU  12  -9.133   5.225  -3.366
  110   1HD1  LEU  12          1HD1      LEU  12 -10.721   5.896  -1.098
  111   2HD1  LEU  12          2HD1      LEU  12 -11.386   6.762  -2.482
  112   3HD1  LEU  12          3HD1      LEU  12 -11.213   5.009  -2.541
  113   1HD2  LEU  12          1HD2      LEU  12  -8.812   8.136  -3.052
  114   2HD2  LEU  12          2HD2      LEU  12  -8.755   7.152  -4.513
  115   3HD2  LEU  12          3HD2      LEU  12 -10.309   7.667  -3.858
  116    MD1  LEU  12           MD1      LEU  12 -11.107   5.889  -2.040
  117    MD2  LEU  12           MD2      LEU  12  -9.292   7.652  -3.808
  118    QB   LEU  12           QB       LEU  12  -8.256   6.699  -1.267
  119    QD   LEU  12           QD       LEU  12 -10.199   6.770  -2.924
  120    H    ASP  13           H        ASP  13  -5.556   5.595  -0.154
  121    HA   ASP  13           HA       ASP  13  -3.819   6.194  -2.371
  122   1HB   ASP  13          1HB       ASP  13  -3.764   6.723   0.316
  123   2HB   ASP  13          2HB       ASP  13  -2.531   5.467   0.185
  124    QB   ASP  13           QB       ASP  13  -3.147   6.095   0.250
  125    H    ASN  14           H        ASN  14  -4.016   3.397  -0.152
  126    HA   ASN  14           HA       ASN  14  -2.334   1.894  -2.120
  127   1HB   ASN  14          1HB       ASN  14  -2.416   1.879   0.880
  128   2HB   ASN  14          2HB       ASN  14  -1.969   0.400   0.029
  129   2HD2  ASN  14          1HD2      ASN  14   0.162   1.113   1.322
  130   1HD2  ASN  14          2HD2      ASN  14   1.256   2.054   0.428
  131    QB   ASN  14           QB       ASN  14  -2.192   1.139   0.454
  132    QD   ASN  14           QD       ASN  14   0.709   1.584   0.875
  133    H    MET  15           H        MET  15  -5.255   2.190  -2.194
  134    HA   MET  15           HA       MET  15  -6.741   0.113  -1.099
  135   1HB   MET  15          1HB       MET  15  -6.941   1.797  -3.466
  136   2HB   MET  15          2HB       MET  15  -7.631   0.195  -3.732
  137   1HG   MET  15          1HG       MET  15  -8.778   0.563  -1.420
  138   2HG   MET  15          2HG       MET  15  -8.416   2.268  -1.695
  139   1HE   MET  15          1HE       MET  15 -10.604  -0.139  -1.575
  140   2HE   MET  15          2HE       MET  15 -12.018   0.374  -2.505
  141   3HE   MET  15          3HE       MET  15 -10.887  -0.792  -3.186
  142    QB   MET  15           QB       MET  15  -7.286   0.996  -3.599
  143    QG   MET  15           QG       MET  15  -8.597   1.416  -1.558
  144    ME   MET  15           ME       MET  15 -11.170  -0.185  -2.422
  145    H    ARG  16           H        ARG  16  -6.001  -0.277  -4.459
  146    HA   ARG  16           HA       ARG  16  -5.548  -2.274  -5.646
  147   1HB   ARG  16          1HB       ARG  16  -3.345  -1.587  -3.834
  148   2HB   ARG  16          2HB       ARG  16  -3.352  -3.288  -4.301
  149   1HG   ARG  16          2HG       ARG  16  -3.834  -2.222  -6.711
  150   2HG   ARG  16          1HG       ARG  16  -2.192  -2.435  -6.102
  151   1HD   ARG  16          2HD       ARG  16  -3.790   0.096  -5.642
  152   2HD   ARG  16          1HD       ARG  16  -2.742  -0.122  -7.043
  153    HE   ARG  16           HE       ARG  16  -1.653  -0.371  -4.271
  154   1HH1  ARG  16          1HH1      ARG  16  -0.875  -0.107  -7.511
  155   2HH1  ARG  16          2HH1      ARG  16   0.279   1.171  -7.319
  156   1HH2  ARG  16          1HH2      ARG  16  -0.500   1.734  -3.988
  157   2HH2  ARG  16          2HH2      ARG  16   0.492   2.212  -5.325
  158    QB   ARG  16           QB       ARG  16  -3.348  -2.437  -4.068
  159    QG   ARG  16           QG       ARG  16  -3.013  -2.328  -6.407
  160    QD   ARG  16           QD       ARG  16  -3.266  -0.013  -6.343
  161    QH1  ARG  16           QH1      ARG  16  -0.298   0.532  -7.415
  162    QH2  ARG  16           QH2      ARG  16  -0.004   1.973  -4.657
  163    H    VAL  17           H        VAL  17  -7.626  -2.809  -3.956
  164    HA   VAL  17           HA       VAL  17  -8.627  -4.459  -2.588
  165    HB   VAL  17           HB       VAL  17  -8.565  -5.538  -4.785
  166   1HG1  VAL  17          1HG1      VAL  17  -5.794  -6.391  -3.905
  167   2HG1  VAL  17          2HG1      VAL  17  -6.645  -7.105  -5.275
  168   3HG1  VAL  17          3HG1      VAL  17  -6.211  -5.396  -5.300
  169   1HG2  VAL  17          1HG2      VAL  17  -9.141  -6.796  -2.561
  170   2HG2  VAL  17          2HG2      VAL  17  -8.929  -7.734  -4.040
  171   3HG2  VAL  17          3HG2      VAL  17  -7.627  -7.651  -2.855
  172    MG1  VAL  17           MG1      VAL  17  -6.217  -6.297  -4.827
  173    MG2  VAL  17           MG2      VAL  17  -8.566  -7.394  -3.152
  174    QG   VAL  17           QG       VAL  17  -7.391  -6.845  -3.989
  175    H    GLY  18           H        GLY  18  -6.851  -3.475  -0.941
  176   1HA   GLY  18          1HA       GLY  18  -5.843  -5.800   0.510
  177   2HA   GLY  18          2HA       GLY  18  -4.560  -4.765  -0.121
  178    QA   GLY  18           QA       GLY  18  -5.201  -5.282   0.195
  179   1HB   PRO  19          1HB       PRO  19  -8.386  -3.961   4.990
  180   2HB   PRO  19          2HB       PRO  19  -9.139  -3.297   3.530
  181   1HG   PRO  19          2HG       PRO  19  -9.479  -5.511   2.962
  182   2HG   PRO  19          1HG       PRO  19  -8.216  -6.083   4.064
  183   1HD   PRO  19          1HD       PRO  19  -6.860  -6.297   2.221
  184   2HD   PRO  19          2HD       PRO  19  -8.020  -5.424   1.196
  185    QB   PRO  19           QB       PRO  19  -8.762  -3.629   4.260
  186    QG   PRO  19           QG       PRO  19  -8.847  -5.797   3.513
  187    QD   PRO  19           QD       PRO  19  -7.440  -5.861   1.709
  188    H    ARG  20           H        ARG  20  -7.099  -2.850   5.947
  189    HA   ARG  20           HA       ARG  20  -5.651  -3.067   7.778
  190   1HB   ARG  20          1HB       ARG  20  -4.642  -5.320   6.020
  191   2HB   ARG  20          2HB       ARG  20  -4.058  -5.035   7.660
  192   1HG   ARG  20          1HG       ARG  20  -6.164  -5.498   8.622
  193   2HG   ARG  20          2HG       ARG  20  -7.006  -5.298   7.085
  194   1HD   ARG  20          2HD       ARG  20  -5.280  -7.307   6.450
  195   2HD   ARG  20          1HD       ARG  20  -6.924  -7.577   7.030
  196    HE   ARG  20           HE       ARG  20  -5.558  -7.444   9.375
  197   1HH1  ARG  20          1HH1      ARG  20  -3.317  -8.180   7.236
  198   2HH1  ARG  20          2HH1      ARG  20  -3.163  -9.869   7.588
  199   1HH2  ARG  20          1HH2      ARG  20  -6.067 -10.012   9.477
  200   2HH2  ARG  20          2HH2      ARG  20  -4.720 -10.906   8.858
  201    QB   ARG  20           QB       ARG  20  -4.350  -5.177   6.840
  202    QG   ARG  20           QG       ARG  20  -6.585  -5.398   7.854
  203    QD   ARG  20           QD       ARG  20  -6.102  -7.442   6.740
  204    QH1  ARG  20           QH1      ARG  20  -3.240  -9.024   7.412
  205    QH2  ARG  20           QH2      ARG  20  -5.393 -10.459   9.168
  206    H    THR  21           H        THR  21  -3.102  -4.218   5.674
  207    HA   THR  21           HA       THR  21  -1.063  -3.233   5.065
  208    HB   THR  21           HB       THR  21  -2.028  -0.460   5.159
  209    HG1  THR  21           HG1      THR  21  -3.496  -0.939   3.371
  210   1HG2  THR  21          1HG2      THR  21  -0.171  -1.907   3.756
  211   2HG2  THR  21          2HG2      THR  21  -1.489  -1.797   2.589
  212   3HG2  THR  21          3HG2      THR  21  -0.784  -0.328   3.264
  213    MG   THR  21           MG       THR  21  -0.815  -1.344   3.203
  214    H    TYR  22           H        TYR  22   0.028  -0.739   5.787
  215    HA   TYR  22           HA       TYR  22  -0.163   0.192   8.391
  216   1HB   TYR  22          1HB       TYR  22   0.672  -2.572   8.371
  217   2HB   TYR  22          2HB       TYR  22   1.961  -1.565   9.028
  218    HD1  TYR  22           HD1      TYR  22   0.966   0.440  10.603
  219    HD2  TYR  22           HD2      TYR  22  -0.848  -3.392   9.921
  220    HE1  TYR  22           HE1      TYR  22  -0.283   0.653  12.736
  221    HE2  TYR  22           HE2      TYR  22  -2.097  -3.181  12.052
  222    HH   TYR  22           HH       TYR  22  -2.246  -0.220  13.811
  223    QB   TYR  22           QB       TYR  22   1.316  -2.069   8.700
  224    QD   TYR  22           QD       TYR  22   0.059  -1.476  10.262
  225    QE   TYR  22           QE       TYR  22  -1.190  -1.264  12.394
  226    QR   TYR  22           QR       TYR  22  -0.566  -1.370  11.328
  227    H    ALA  23           H        ALA  23   2.328  -1.164   6.200
  228    HA   ALA  23           HA       ALA  23   4.535   0.302   6.892
  229   1HB   ALA  23          1HB       ALA  23   3.503  -0.756   4.365
  230   2HB   ALA  23          2HB       ALA  23   4.596   0.613   4.156
  231   3HB   ALA  23          3HB       ALA  23   5.138  -0.824   5.025
  232    MB   ALA  23           MB       ALA  23   4.412  -0.322   4.515
  233    H    ASP  24           H        ASP  24   1.755   1.525   5.188
  234    HA   ASP  24           HA       ASP  24   2.866   4.175   4.763
  235   1HB   ASP  24          1HB       ASP  24   0.461   4.753   4.186
  236   2HB   ASP  24          2HB       ASP  24   1.176   3.461   3.221
  237    QB   ASP  24           QB       ASP  24   0.819   4.107   3.704
  238    H    VAL  25           H        VAL  25   0.221   2.988   6.911
  239    HA   VAL  25           HA       VAL  25  -0.276   5.340   8.313
  240    HB   VAL  25           HB       VAL  25  -0.034   2.575   9.543
  241   1HG1  VAL  25          1HG1      VAL  25  -0.263   4.830  10.940
  242   2HG1  VAL  25          2HG1      VAL  25  -1.952   4.681  10.457
  243   3HG1  VAL  25          3HG1      VAL  25  -1.182   3.391  11.382
  244   1HG2  VAL  25          1HG2      VAL  25  -1.634   3.237   7.448
  245   2HG2  VAL  25          2HG2      VAL  25  -2.094   2.061   8.680
  246   3HG2  VAL  25          3HG2      VAL  25  -2.666   3.726   8.793
  247    MG1  VAL  25           MG1      VAL  25  -1.133   4.301  10.926
  248    MG2  VAL  25           MG2      VAL  25  -2.131   3.008   8.307
  249    QG   VAL  25           QG       VAL  25  -1.632   3.654   9.617
  250    H    ARG  26           H        ARG  26   2.141   2.884   9.222
  251    HA   ARG  26           HA       ARG  26   3.396   4.400  11.296
  252   1HB   ARG  26          2HB       ARG  26   5.195   2.827  11.120
  253   2HB   ARG  26          1HB       ARG  26   4.869   2.518   9.415
  254   1HG   ARG  26          1HG       ARG  26   2.829   1.346   9.948
  255   2HG   ARG  26          2HG       ARG  26   4.089   0.699  10.997
  256   1HD   ARG  26          1HD       ARG  26   2.004   2.768  11.744
  257   2HD   ARG  26          2HD       ARG  26   2.109   1.111  12.341
  258    HE   ARG  26           HE       ARG  26   3.920   3.337  13.100
  259   1HH1  ARG  26          1HH1      ARG  26   5.430   0.759  12.893
  260   2HH1  ARG  26          2HH1      ARG  26   5.256   0.107  14.489
  261   1HH2  ARG  26          1HH2      ARG  26   2.616   2.189  15.340
  262   2HH2  ARG  26          2HH2      ARG  26   3.663   0.916  15.873
  263    QB   ARG  26           QB       ARG  26   5.032   2.673  10.267
  264    QG   ARG  26           QG       ARG  26   3.459   1.022  10.473
  265    QD   ARG  26           QD       ARG  26   2.056   1.939  12.043
  266    QH1  ARG  26           QH1      ARG  26   5.343   0.433  13.691
  267    QH2  ARG  26           QH2      ARG  26   3.140   1.552  15.606
  268    H    ASP  27           H        ASP  27   4.592   4.105   7.859
  269    HA   ASP  27           HA       ASP  27   6.645   6.011   7.926
  270   1HB   ASP  27          1HB       ASP  27   4.636   5.218   5.869
  271   2HB   ASP  27          2HB       ASP  27   5.344   6.817   5.638
  272    QB   ASP  27           QB       ASP  27   4.990   6.017   5.754
  273    H    GLU  28           H        GLU  28   3.231   6.566   8.358
  274    HA   GLU  28           HA       GLU  28   3.303   9.377   8.238
  275   1HB   GLU  28          1HB       GLU  28   1.231   7.741   8.476
  276   2HB   GLU  28          2HB       GLU  28   1.560   7.926  10.199
  277   1HG   GLU  28          1HG       GLU  28   1.204  10.278  10.121
  278   2HG   GLU  28          2HG       GLU  28   1.267  10.304   8.358
  279    QB   GLU  28           QB       GLU  28   1.396   7.834   9.337
  280    QG   GLU  28           QG       GLU  28   1.235  10.291   9.240
  281    H    ILE  29           H        ILE  29   5.218   9.848   9.162
  282    HA   ILE  29           HA       ILE  29   6.449  10.718  11.074
  283    HB   ILE  29           HB       ILE  29   5.027   8.484  12.607
  284   1HG1  ILE  29          1HG1      ILE  29   4.371  11.405  12.145
  285   2HG1  ILE  29          2HG1      ILE  29   3.282  10.022  12.203
  286   1HG2  ILE  29          1HG2      ILE  29   7.243   9.179  13.488
  287   2HG2  ILE  29          2HG2      ILE  29   6.715  10.862  13.514
  288   3HG2  ILE  29          3HG2      ILE  29   5.951   9.680  14.577
  289   1HD1  ILE  29          1HD1      ILE  29   4.333  10.016  14.746
  290   2HD1  ILE  29          2HD1      ILE  29   4.251  11.741  14.389
  291   3HD1  ILE  29          3HD1      ILE  29   2.793  10.751  14.298
  292    MG   ILE  29           MG       ILE  29   6.636   9.907  13.860
  293    MD   ILE  29           MD       ILE  29   3.792  10.836  14.478
  294    QG   ILE  29           QG       ILE  29   3.827  10.714  12.174
  295    H    ASN  30           H        ASN  30   7.652   9.395   9.166
  296    HA   ASN  30           HA       ASN  30   8.720   7.407   8.442
  297   1HB   ASN  30          1HB       ASN  30  10.721   7.330  10.320
  298   2HB   ASN  30          2HB       ASN  30  10.700   8.286   8.841
  299   2HD2  ASN  30          1HD2      ASN  30  11.317   8.641  12.064
  300   1HD2  ASN  30          2HD2      ASN  30  10.831  10.252  12.284
  301    QB   ASN  30           QB       ASN  30  10.710   7.808   9.581
  302    QD   ASN  30           QD       ASN  30  11.074   9.447  12.174
  303    H    LYS  31           H        LYS  31   6.586   6.474   9.741
  304    HA   LYS  31           HA       LYS  31   6.185   4.156  10.370
  305   1HB   LYS  31          2HB       LYS  31   7.688   2.893  11.769
  306   2HB   LYS  31          1HB       LYS  31   8.695   4.311  12.027
  307   1HG   LYS  31          1HG       LYS  31   8.279   3.898   9.194
  308   2HG   LYS  31          2HG       LYS  31   9.798   3.911  10.093
  309   1HD   LYS  31          1HD       LYS  31   8.695   1.495  10.836
  310   2HD   LYS  31          2HD       LYS  31   8.207   1.628   9.147
  311   1HE   LYS  31          1HE       LYS  31  10.278   0.924   8.601
  312   2HE   LYS  31          2HE       LYS  31  10.869   2.484   9.170
  313   1HZ   LYS  31          1HZ       LYS  31  10.368   0.738  11.347
  314   2HZ   LYS  31          2HZ       LYS  31  11.427   0.008  10.240
  315   3HZ   LYS  31          3HZ       LYS  31  11.810   1.521  10.910
  316    QB   LYS  31           QB       LYS  31   8.192   3.602  11.898
  317    QD   LYS  31           QD       LYS  31   8.451   1.561   9.992
  318    QG   LYS  31           QG       LYS  31   9.038   3.905   9.643
  319    QE   LYS  31           QE       LYS  31  10.574   1.704   8.885
  320    QZ   LYS  31           QZ       LYS  31  11.202   0.756  10.833
  321    H    ARG  32           H        ARG  32   5.362   6.817  11.739
  322    HA   ARG  32           HA       ARG  32   4.535   5.452  14.245
  323   1HB   ARG  32          1HB       ARG  32   6.499   7.568  14.113
  324   2HB   ARG  32          2HB       ARG  32   5.085   8.098  15.026
  325   1HG   ARG  32          2HG       ARG  32   5.532   5.470  15.882
  326   2HG   ARG  32          1HG       ARG  32   5.908   6.942  16.779
  327   1HD   ARG  32          1HD       ARG  32   7.931   6.397  14.761
  328   2HD   ARG  32          2HD       ARG  32   8.126   6.627  16.498
  329    HE   ARG  32           HE       ARG  32   7.582   4.007  15.178
  330   1HH1  ARG  32          1HH1      ARG  32   7.343   5.483  18.176
  331   2HH1  ARG  32          2HH1      ARG  32   8.363   4.360  19.010
  332   1HH2  ARG  32          1HH2      ARG  32   9.393   2.741  16.123
  333   2HH2  ARG  32          2HH2      ARG  32   9.524   2.808  17.849
  334    QB   ARG  32           QB       ARG  32   5.792   7.833  14.570
  335    QG   ARG  32           QG       ARG  32   5.720   6.206  16.331
  336    QD   ARG  32           QD       ARG  32   8.028   6.512  15.629
  337    QH1  ARG  32           QH1      ARG  32   7.853   4.922  18.593
  338    QH2  ARG  32           QH2      ARG  32   9.459   2.774  16.986
  339    H    GLY  33           H        GLY  33   2.560   5.506  12.761
  340   1HA   GLY  33          1HA       GLY  33   1.247   8.186  12.787
  341   2HA   GLY  33          2HA       GLY  33   0.769   6.840  11.752
  342    QA   GLY  33           QA       GLY  33   1.008   7.513  12.269
  343    H    ARG  34           H        ARG  34  -1.273   6.299  12.398
  344    HA   ARG  34           HA       ARG  34  -1.748   4.970  14.862
  345   1HB   ARG  34          2HB       ARG  34  -1.499   7.224  15.847
  346   2HB   ARG  34          1HB       ARG  34  -3.152   6.631  16.027
  347   1HG   ARG  34          1HG       ARG  34  -2.313   8.354  13.688
  348   2HG   ARG  34          2HG       ARG  34  -3.946   8.019  14.264
  349   1HD   ARG  34          1HD       ARG  34  -3.341  10.250  14.987
  350   2HD   ARG  34          2HD       ARG  34  -3.362   9.200  16.404
  351    HE   ARG  34           HE       ARG  34  -0.861   9.121  16.226
  352   1HH1  ARG  34          1HH1      ARG  34  -1.556  10.678  13.456
  353   2HH1  ARG  34          2HH1      ARG  34  -0.710  12.148  13.803
  354   1HH2  ARG  34          1HH2      ARG  34  -0.228  11.395  17.152
  355   2HH2  ARG  34          2HH2      ARG  34   0.040  12.555  15.894
  356    QB   ARG  34           QB       ARG  34  -2.325   6.927  15.937
  357    QG   ARG  34           QG       ARG  34  -3.129   8.187  13.976
  358    QD   ARG  34           QD       ARG  34  -3.352   9.725  15.696
  359    QH1  ARG  34           QH1      ARG  34  -1.133  11.413  13.630
  360    QH2  ARG  34           QH2      ARG  34  -0.094  11.975  16.523

  No H/Q in entry =         360
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1 -15.261  13.909   6.213
    2    H2   MET   1           H2       MET   1 -16.813  14.533   5.927
    3    H3   MET   1           H3       MET   1 -15.441  15.420   5.457
    4    HA   MET   1           HA       MET   1 -14.998  16.159   7.539
    5   1HB   MET   1          2HB       MET   1 -17.034  16.856   8.565
    6   2HB   MET   1          1HB       MET   1 -17.907  15.448   7.958
    7   1HG   MET   1          1HG       MET   1 -16.870  17.814   6.379
    8   2HG   MET   1          2HG       MET   1 -17.397  16.317   5.611
    9   1HE   MET   1          1HE       MET   1 -17.916  18.899   8.025
   10   2HE   MET   1          2HE       MET   1 -19.278  19.777   7.334
   11   3HE   MET   1          3HE       MET   1 -19.546  18.659   8.669
   12    QB   MET   1           QB       MET   1 -17.471  16.152   8.262
   13    QG   MET   1           QG       MET   1 -17.133  17.065   5.995
   14    ME   MET   1           ME       MET   1 -18.913  19.112   8.009
   15    H    SER   2           H        SER   2 -17.312  13.488   8.152
   16    HA   SER   2           HA       SER   2 -15.336  12.257   9.977
   17   1HB   SER   2          1HB       SER   2 -17.473  12.041  11.590
   18   2HB   SER   2          2HB       SER   2 -16.348  13.391  11.702
   19    HG   SER   2           HG       SER   2 -18.890  13.551  11.276
   20    QB   SER   2           QB       SER   2 -16.910  12.716  11.646
   21    H    TRP   3           H        TRP   3 -17.074  11.785   7.415
   22    HA   TRP   3           HA       TRP   3 -18.572   9.368   8.214
   23   1HB   TRP   3          1HB       TRP   3 -18.107  10.647   5.501
   24   2HB   TRP   3          2HB       TRP   3 -19.159   9.262   5.798
   25    HD1  TRP   3           HD1      TRP   3 -18.981  13.012   6.135
   26    HE1  TRP   3           HE1      TRP   3 -21.246  13.907   6.980
   27    HE3  TRP   3           HE3      TRP   3 -21.273   8.611   7.340
   28    HZ2  TRP   3           HZ2      TRP   3 -23.705  12.890   8.028
   29    HZ3  TRP   3           HZ3      TRP   3 -23.574   8.602   8.258
   30    HH2  TRP   3           HH2      TRP   3 -24.792  10.734   8.604
   31    QB   TRP   3           QB       TRP   3 -18.633   9.954   5.649
   32    H    ALA   4           H        ALA   4 -15.940   8.935   8.856
   33    HA   ALA   4           HA       ALA   4 -14.205   7.392   8.502
   34   1HB   ALA   4          2HB       ALA   4 -15.429   6.112   6.150
   35   2HB   ALA   4          1HB       ALA   4 -16.487   6.171   7.561
   36   3HB   ALA   4          3HB       ALA   4 -14.905   5.398   7.674
   37    MB   ALA   4           MB       ALA   4 -15.607   5.894   7.128
   38    H    LEU   5           H        LEU   5 -14.275   9.973   7.043
   39    HA   LEU   5           HA       LEU   5 -13.245   9.423   4.362
   40   1HB   LEU   5          1HB       LEU   5 -14.097  11.737   5.882
   41   2HB   LEU   5          2HB       LEU   5 -12.541  12.046   5.113
   42    HG   LEU   5           HG       LEU   5 -14.954  10.920   3.665
   43   1HD1  LEU   5          1HD1      LEU   5 -13.869  13.740   3.876
   44   2HD1  LEU   5          2HD1      LEU   5 -14.985  13.228   2.610
   45   3HD1  LEU   5          3HD1      LEU   5 -15.487  13.180   4.300
   46   1HD2  LEU   5          1HD2      LEU   5 -12.571  10.450   2.828
   47   2HD2  LEU   5          2HD2      LEU   5 -13.665  11.219   1.679
   48   3HD2  LEU   5          3HD2      LEU   5 -12.453  12.183   2.522
   49    MD1  LEU   5           MD1      LEU   5 -14.780  13.383   3.595
   50    MD2  LEU   5           MD2      LEU   5 -12.896  11.284   2.343
   51    QB   LEU   5           QB       LEU   5 -13.319  11.892   5.497
   52    QD   LEU   5           QD       LEU   5 -13.838  12.333   2.969
   53    H    GLU   6           H        GLU   6 -11.827  10.740   7.375
   54    HA   GLU   6           HA       GLU   6  -9.153  10.885   6.461
   55   1HB   GLU   6          1HB       GLU   6 -10.363  10.476   9.195
   56   2HB   GLU   6          2HB       GLU   6  -8.615  10.538   8.968
   57   1HG   GLU   6          1HG       GLU   6  -8.656  12.765   8.241
   58   2HG   GLU   6          2HG       GLU   6 -10.362  12.689   7.798
   59    QB   GLU   6           QB       GLU   6  -9.489  10.507   9.081
   60    QG   GLU   6           QG       GLU   6  -9.509  12.727   8.019
   61    H    MET   7           H        MET   7 -10.978   8.140   7.759
   62    HA   MET   7           HA       MET   7  -8.629   6.410   7.854
   63   1HB   MET   7          2HB       MET   7 -10.126   4.692   8.547
   64   2HB   MET   7          1HB       MET   7 -11.516   5.514   7.838
   65   1HG   MET   7          1HG       MET   7  -9.878   6.784  10.037
   66   2HG   MET   7          2HG       MET   7 -11.513   7.191   9.517
   67   1HE   MET   7          1HE       MET   7 -13.521   6.232  10.118
   68   2HE   MET   7          2HE       MET   7 -13.226   4.687   9.328
   69   3HE   MET   7          3HE       MET   7 -13.830   4.721  10.982
   70    QB   MET   7           QB       MET   7 -10.821   5.103   8.193
   71    QG   MET   7           QG       MET   7 -10.696   6.987   9.777
   72    ME   MET   7           ME       MET   7 -13.525   5.213  10.143
   73    H    ALA   8           H        ALA   8 -11.575   6.447   5.806
   74    HA   ALA   8           HA       ALA   8 -10.883   4.439   4.004
   75   1HB   ALA   8          3HB       ALA   8 -13.026   5.514   3.806
   76   2HB   ALA   8          2HB       ALA   8 -12.171   5.792   2.289
   77   3HB   ALA   8          1HB       ALA   8 -12.276   7.079   3.490
   78    MB   ALA   8           MB       ALA   8 -12.491   6.128   3.195
   79    H    ASP   9           H        ASP   9  -9.642   7.748   4.145
   80    HA   ASP   9           HA       ASP   9  -8.375   7.997   1.678
   81   1HB   ASP   9          1HB       ASP   9  -8.261   9.349   4.089
   82   2HB   ASP   9          2HB       ASP   9  -6.613   8.751   3.900
   83    QB   ASP   9           QB       ASP   9  -7.437   9.050   3.995
   84    H    THR  10           H        THR  10  -7.059   6.354   4.573
   85    HA   THR  10           HA       THR  10  -4.592   5.524   3.579
   86    HB   THR  10           HB       THR  10  -6.373   3.636   5.123
   87    HG1  THR  10           HG1      THR  10  -5.965   4.816   6.924
   88   1HG2  THR  10          1HG2      THR  10  -3.408   4.261   5.190
   89   2HG2  THR  10          2HG2      THR  10  -4.222   3.085   6.221
   90   3HG2  THR  10          3HG2      THR  10  -4.147   2.827   4.477
   91    MG   THR  10           MG       THR  10  -3.926   3.391   5.296
   92    H    PHE  11           H        PHE  11  -7.709   3.806   3.184
   93    HA   PHE  11           HA       PHE  11  -6.697   1.688   1.578
   94   1HB   PHE  11          2HB       PHE  11  -9.008   1.334   0.884
   95   2HB   PHE  11          1HB       PHE  11  -9.446   2.960   1.404
   96    HD1  PHE  11           HD1      PHE  11  -7.231   0.465   3.092
   97    HD2  PHE  11           HD2      PHE  11 -10.944   2.622   3.194
   98    HE1  PHE  11           HE1      PHE  11  -7.660  -0.378   5.384
   99    HE2  PHE  11           HE2      PHE  11 -11.373   1.778   5.485
  100    HZ   PHE  11           HZ       PHE  11  -9.731   0.277   6.581
  101    QB   PHE  11           QB       PHE  11  -9.227   2.147   1.144
  102    QD   PHE  11           QD       PHE  11  -9.088   1.544   3.143
  103    QE   PHE  11           QE       PHE  11  -9.517   0.700   5.435
  104    QR   PHE  11           QR       PHE  11  -9.388   0.953   4.747
  105    H    LEU  12           H        LEU  12  -8.217   4.769   0.575
  106    HA   LEU  12           HA       LEU  12  -7.884   4.374  -2.221
  107   1HB   LEU  12          1HB       LEU  12  -8.178   6.826  -0.494
  108   2HB   LEU  12          2HB       LEU  12  -7.930   6.969  -2.235
  109    HG   LEU  12           HG       LEU  12 -10.081   5.197  -1.068
  110   1HD1  LEU  12          1HD1      LEU  12 -10.149   8.143  -1.737
  111   2HD1  LEU  12          2HD1      LEU  12 -11.607   7.151  -1.746
  112   3HD1  LEU  12          3HD1      LEU  12 -10.684   7.348  -0.255
  113   1HD2  LEU  12          1HD2      LEU  12  -9.142   5.122  -3.525
  114   2HD2  LEU  12          2HD2      LEU  12 -10.885   5.077  -3.261
  115   3HD2  LEU  12          3HD2      LEU  12 -10.103   6.585  -3.735
  116    MD1  LEU  12           MD1      LEU  12 -10.813   7.547  -1.246
  117    MD2  LEU  12           MD2      LEU  12 -10.043   5.595  -3.507
  118    QB   LEU  12           QB       LEU  12  -8.054   6.898  -1.365
  119    QD   LEU  12           QD       LEU  12 -10.428   6.571  -2.377
  120    H    ASP  13           H        ASP  13  -5.538   4.917   0.193
  121    HA   ASP  13           HA       ASP  13  -3.616   6.439  -1.305
  122   1HB   ASP  13          1HB       ASP  13  -3.522   5.984   1.179
  123   2HB   ASP  13          2HB       ASP  13  -3.035   4.332   0.798
  124    QB   ASP  13           QB       ASP  13  -3.278   5.158   0.989
  125    H    ASN  14           H        ASN  14  -3.623   2.936  -0.598
  126    HA   ASN  14           HA       ASN  14  -2.241   2.526  -3.218
  127   1HB   ASN  14          1HB       ASN  14  -1.433   0.375  -2.199
  128   2HB   ASN  14          2HB       ASN  14  -0.841   1.814  -1.369
  129   2HD2  ASN  14          1HD2      ASN  14  -2.514  -1.146  -0.913
  130   1HD2  ASN  14          2HD2      ASN  14  -3.077  -0.852   0.661
  131    QB   ASN  14           QB       ASN  14  -1.137   1.095  -1.784
  132    QD   ASN  14           QD       ASN  14  -2.795  -0.999  -0.126
  133    H    MET  15           H        MET  15  -4.709   1.179  -1.024
  134    HA   MET  15           HA       MET  15  -6.403  -0.392  -1.435
  135   1HB   MET  15          2HB       MET  15  -7.181   1.778  -2.515
  136   2HB   MET  15          1HB       MET  15  -7.937   0.310  -3.124
  137   1HG   MET  15          1HG       MET  15  -6.061   2.178  -4.477
  138   2HG   MET  15          2HG       MET  15  -5.840   0.465  -4.827
  139   1HE   MET  15          1HE       MET  15  -6.801   3.303  -5.986
  140   2HE   MET  15          2HE       MET  15  -6.961   2.353  -7.462
  141   3HE   MET  15          3HE       MET  15  -8.344   3.260  -6.836
  142    QB   MET  15           QB       MET  15  -7.559   1.044  -2.819
  143    QG   MET  15           QG       MET  15  -5.951   1.322  -4.652
  144    ME   MET  15           ME       MET  15  -7.369   2.972  -6.761
  145    H    ARG  16           H        ARG  16  -3.653  -1.085  -2.510
  146    HA   ARG  16           HA       ARG  16  -4.389  -2.729  -4.867
  147   1HB   ARG  16          1HB       ARG  16  -2.021  -1.438  -4.082
  148   2HB   ARG  16          2HB       ARG  16  -1.699  -3.157  -3.848
  149   1HG   ARG  16          1HG       ARG  16  -2.272  -3.663  -6.123
  150   2HG   ARG  16          2HG       ARG  16  -2.923  -2.045  -6.383
  151   1HD   ARG  16          1HD       ARG  16  -0.589  -2.450  -7.321
  152   2HD   ARG  16          2HD       ARG  16  -0.749  -1.051  -6.259
  153    HE   ARG  16           HE       ARG  16   0.004  -3.355  -4.719
  154   1HH1  ARG  16          1HH1      ARG  16   1.089  -0.371  -5.399
  155   2HH1  ARG  16          2HH1      ARG  16   2.763  -0.773  -5.593
  156   1HH2  ARG  16          1HH2      ARG  16   2.206  -4.195  -5.672
  157   2HH2  ARG  16          2HH2      ARG  16   3.396  -2.937  -5.749
  158    QB   ARG  16           QB       ARG  16  -1.860  -2.298  -3.965
  159    QG   ARG  16           QG       ARG  16  -2.597  -2.854  -6.253
  160    QD   ARG  16           QD       ARG  16  -0.669  -1.750  -6.790
  161    QH1  ARG  16           QH1      ARG  16   1.926  -0.572  -5.496
  162    QH2  ARG  16           QH2      ARG  16   2.801  -3.566  -5.711
  163    H    VAL  17           H        VAL  17  -5.228  -3.106  -1.945
  164    HA   VAL  17           HA       VAL  17  -4.965  -6.006  -1.932
  165    HB   VAL  17           HB       VAL  17  -3.603  -4.327   0.180
  166   1HG1  VAL  17          1HG1      VAL  17  -5.041  -6.748   0.518
  167   2HG1  VAL  17          2HG1      VAL  17  -3.329  -7.168   0.564
  168   3HG1  VAL  17          3HG1      VAL  17  -3.972  -5.963   1.680
  169   1HG2  VAL  17          1HG2      VAL  17  -2.729  -6.292  -1.924
  170   2HG2  VAL  17          2HG2      VAL  17  -2.040  -4.720  -1.521
  171   3HG2  VAL  17          3HG2      VAL  17  -1.771  -6.099  -0.456
  172    MG1  VAL  17           MG1      VAL  17  -4.114  -6.626   0.921
  173    MG2  VAL  17           MG2      VAL  17  -2.180  -5.704  -1.300
  174    QG   VAL  17           QG       VAL  17  -3.147  -6.165  -0.190
  175    H    GLY  18           H        GLY  18  -5.508  -3.477   0.476
  176   1HA   GLY  18          1HA       GLY  18  -7.716  -4.754   1.737
  177   2HA   GLY  18          2HA       GLY  18  -7.366  -3.030   1.839
  178    QA   GLY  18           QA       GLY  18  -7.541  -3.892   1.788
  179   1HB   PRO  19          1HB       PRO  19 -12.425  -5.735  -0.828
  180   2HB   PRO  19          2HB       PRO  19 -10.991  -6.196  -1.761
  181   1HG   PRO  19          2HG       PRO  19 -10.498  -7.524   0.064
  182   2HG   PRO  19          1HG       PRO  19 -11.548  -6.590   1.142
  183   1HD   PRO  19          1HD       PRO  19  -9.642  -5.586   1.942
  184   2HD   PRO  19          2HD       PRO  19  -8.658  -6.287   0.641
  185    QB   PRO  19           QB       PRO  19 -11.708  -5.965  -1.294
  186    QG   PRO  19           QG       PRO  19 -11.023  -7.057   0.603
  187    QD   PRO  19           QD       PRO  19  -9.150  -5.936   1.291
  188    H    ARG  20           H        ARG  20 -12.527  -2.783  -1.801
  189    HA   ARG  20           HA       ARG  20 -13.152  -1.097   0.429
  190   1HB   ARG  20          1HB       ARG  20 -13.590  -0.686  -2.082
  191   2HB   ARG  20          2HB       ARG  20 -15.042  -1.660  -1.856
  192   1HG   ARG  20          2HG       ARG  20 -15.108   0.100   0.292
  193   2HG   ARG  20          1HG       ARG  20 -16.052   0.247  -1.190
  194   1HD   ARG  20          1HD       ARG  20 -13.828   1.354  -2.110
  195   2HD   ARG  20          2HD       ARG  20 -14.971   2.306  -1.162
  196    HE   ARG  20           HE       ARG  20 -13.452   2.207   0.705
  197   1HH1  ARG  20          1HH1      ARG  20 -11.911   0.321   1.434
  198   2HH1  ARG  20          2HH1      ARG  20 -10.497   0.223   0.438
  199   1HH2  ARG  20          1HH2      ARG  20 -11.839   2.155  -2.110
  200   2HH2  ARG  20          2HH2      ARG  20 -10.457   1.261  -1.570
  201    QB   ARG  20           QB       ARG  20 -14.316  -1.173  -1.969
  202    QG   ARG  20           QG       ARG  20 -15.580   0.174  -0.449
  203    QD   ARG  20           QD       ARG  20 -14.400   1.830  -1.636
  204    QH1  ARG  20           QH1      ARG  20 -11.204   0.272   0.936
  205    QH2  ARG  20           QH2      ARG  20 -11.148   1.708  -1.840
  206    H    THR  21           H        THR  21 -15.156  -3.665  -1.079
  207    HA   THR  21           HA       THR  21 -15.878  -4.952   1.331
  208    HB   THR  21           HB       THR  21 -17.078  -3.194   2.236
  209    HG1  THR  21           HG1      THR  21 -18.606  -4.764   1.972
  210   1HG2  THR  21          1HG2      THR  21 -17.246  -2.325  -0.599
  211   2HG2  THR  21          2HG2      THR  21 -18.559  -1.806   0.456
  212   3HG2  THR  21          3HG2      THR  21 -16.893  -1.382   0.849
  213    MG   THR  21           MG       THR  21 -17.566  -1.838   0.235
  214    H    TYR  22           H        TYR  22 -16.704  -6.877   0.663
  215    HA   TYR  22           HA       TYR  22 -18.826  -7.240  -1.168
  216   1HB   TYR  22          1HB       TYR  22 -16.599  -6.410  -2.557
  217   2HB   TYR  22          2HB       TYR  22 -16.465  -8.166  -2.667
  218    HD1  TYR  22           HD1      TYR  22 -19.233  -5.622  -2.767
  219    HD2  TYR  22           HD2      TYR  22 -17.454  -9.101  -4.552
  220    HE1  TYR  22           HE1      TYR  22 -21.015  -5.649  -4.492
  221    HE2  TYR  22           HE2      TYR  22 -19.236  -9.129  -6.275
  222    HH   TYR  22           HH       TYR  22 -22.074  -7.282  -6.012
  223    QB   TYR  22           QB       TYR  22 -16.532  -7.288  -2.612
  224    QD   TYR  22           QD       TYR  22 -18.343  -7.361  -3.659
  225    QE   TYR  22           QE       TYR  22 -20.125  -7.389  -5.383
  226    QR   TYR  22           QR       TYR  22 -19.234  -7.375  -4.521
  227    H    ALA  23           H        ALA  23 -15.651  -8.848  -0.950
  228    HA   ALA  23           HA       ALA  23 -15.822 -11.405  -1.010
  229   1HB   ALA  23          1HB       ALA  23 -14.465  -9.782   0.803
  230   2HB   ALA  23          3HB       ALA  23 -14.148 -11.487   0.477
  231   3HB   ALA  23          2HB       ALA  23 -15.229 -11.025   1.793
  232    MB   ALA  23           MB       ALA  23 -14.614 -10.764   1.024
  233    H    ASP  24           H        ASP  24 -17.228 -10.075   1.925
  234    HA   ASP  24           HA       ASP  24 -18.598 -12.423   2.720
  235   1HB   ASP  24          1HB       ASP  24 -18.773  -9.538   3.373
  236   2HB   ASP  24          2HB       ASP  24 -20.226 -10.481   3.706
  237    QB   ASP  24           QB       ASP  24 -19.499 -10.010   3.540
  238    H    VAL  25           H        VAL  25 -20.227  -9.534   1.373
  239    HA   VAL  25           HA       VAL  25 -22.677 -10.668   0.760
  240    HB   VAL  25           HB       VAL  25 -21.243  -8.799  -1.140
  241   1HG1  VAL  25          1HG1      VAL  25 -23.826  -9.892  -1.104
  242   2HG1  VAL  25          2HG1      VAL  25 -24.021  -8.253  -0.481
  243   3HG1  VAL  25          3HG1      VAL  25 -23.281  -8.514  -2.061
  244   1HG2  VAL  25          1HG2      VAL  25 -22.357  -8.352   1.619
  245   2HG2  VAL  25          2HG2      VAL  25 -20.876  -7.716   0.903
  246   3HG2  VAL  25          3HG2      VAL  25 -22.440  -7.057   0.424
  247    MG1  VAL  25           MG1      VAL  25 -23.709  -8.886  -1.215
  248    MG2  VAL  25           MG2      VAL  25 -21.891  -7.708   0.982
  249    QG   VAL  25           QG       VAL  25 -22.800  -8.297  -0.117
  250    H    ARG  26           H        ARG  26 -19.861 -10.597  -1.454
  251    HA   ARG  26           HA       ARG  26 -20.920 -11.982  -3.618
  252   1HB   ARG  26          1HB       ARG  26 -18.444 -11.125  -3.012
  253   2HB   ARG  26          2HB       ARG  26 -18.213 -12.852  -2.732
  254   1HG   ARG  26          1HG       ARG  26 -19.002 -13.370  -4.976
  255   2HG   ARG  26          2HG       ARG  26 -19.394 -11.675  -5.264
  256   1HD   ARG  26          1HD       ARG  26 -17.188 -11.062  -5.523
  257   2HD   ARG  26          2HD       ARG  26 -16.603 -12.312  -4.426
  258    HE   ARG  26           HE       ARG  26 -17.691 -13.182  -7.047
  259   1HH1  ARG  26          1HH1      ARG  26 -16.332 -15.331  -6.029
  260   2HH1  ARG  26          2HH1      ARG  26 -14.660 -15.121  -6.431
  261   1HH2  ARG  26          1HH2      ARG  26 -14.971 -11.730  -7.087
  262   2HH2  ARG  26          2HH2      ARG  26 -13.890 -13.082  -7.030
  263    QB   ARG  26           QB       ARG  26 -18.329 -11.989  -2.872
  264    QG   ARG  26           QG       ARG  26 -19.198 -12.523  -5.120
  265    QD   ARG  26           QD       ARG  26 -16.895 -11.687  -4.974
  266    QH1  ARG  26           QH1      ARG  26 -15.496 -15.226  -6.230
  267    QH2  ARG  26           QH2      ARG  26 -14.431 -12.406  -7.059
  268    H    ASP  27           H        ASP  27 -19.371 -13.504  -0.762
  269    HA   ASP  27           HA       ASP  27 -19.869 -16.188  -1.552
  270   1HB   ASP  27          1HB       ASP  27 -18.349 -15.723   0.278
  271   2HB   ASP  27          2HB       ASP  27 -19.639 -14.965   1.212
  272    QB   ASP  27           QB       ASP  27 -18.994 -15.344   0.745
  273    H    GLU  28           H        GLU  28 -21.922 -13.851   0.139
  274    HA   GLU  28           HA       GLU  28 -23.971 -15.668   0.930
  275   1HB   GLU  28          1HB       GLU  28 -24.216 -12.759   0.093
  276   2HB   GLU  28          2HB       GLU  28 -25.450 -13.674   0.957
  277   1HG   GLU  28          1HG       GLU  28 -22.823 -13.863   2.231
  278   2HG   GLU  28          2HG       GLU  28 -23.408 -12.202   2.131
  279    QB   GLU  28           QB       GLU  28 -24.833 -13.216   0.525
  280    QG   GLU  28           QG       GLU  28 -23.116 -13.033   2.181
  281    H    ILE  29           H        ILE  29 -23.249 -14.144  -2.172
  282    HA   ILE  29           HA       ILE  29 -25.775 -14.910  -3.367
  283    HB   ILE  29           HB       ILE  29 -23.332 -14.518  -5.046
  284   1HG1  ILE  29          1HG1      ILE  29 -24.672 -12.417  -3.322
  285   2HG1  ILE  29          2HG1      ILE  29 -22.954 -12.805  -3.415
  286   1HG2  ILE  29          1HG2      ILE  29 -26.219 -13.598  -5.169
  287   2HG2  ILE  29          2HG2      ILE  29 -24.993 -13.183  -6.366
  288   3HG2  ILE  29          3HG2      ILE  29 -25.474 -14.865  -6.143
  289   1HD1  ILE  29          1HD1      ILE  29 -23.763 -12.193  -6.053
  290   2HD1  ILE  29          2HD1      ILE  29 -24.471 -10.951  -5.020
  291   3HD1  ILE  29          3HD1      ILE  29 -22.729 -11.227  -5.000
  292    MG   ILE  29           MG       ILE  29 -25.562 -13.882  -5.893
  293    MD   ILE  29           MD       ILE  29 -23.654 -11.457  -5.358
  294    QG   ILE  29           QG       ILE  29 -23.813 -12.611  -3.368
  295    H    ASN  30           H        ASN  30 -23.802 -16.976  -2.117
  296    HA   ASN  30           HA       ASN  30 -23.679 -18.858  -4.398
  297   1HB   ASN  30          1HB       ASN  30 -21.575 -18.741  -3.266
  298   2HB   ASN  30          2HB       ASN  30 -22.348 -18.822  -1.681
  299   2HD2  ASN  30          1HD2      ASN  30 -20.771 -20.754  -1.455
  300   1HD2  ASN  30          2HD2      ASN  30 -21.308 -22.263  -2.015
  301    QB   ASN  30           QB       ASN  30 -21.962 -18.781  -2.474
  302    QD   ASN  30           QD       ASN  30 -21.039 -21.509  -1.735
  303    H    LYS  31           H        LYS  31 -24.418 -19.078  -0.892
  304    HA   LYS  31           HA       LYS  31 -26.192 -21.345  -1.374
  305   1HB   LYS  31          1HB       LYS  31 -25.495 -19.737   1.091
  306   2HB   LYS  31          2HB       LYS  31 -26.660 -21.061   1.115
  307   1HG   LYS  31          1HG       LYS  31 -24.968 -22.626   0.326
  308   2HG   LYS  31          2HG       LYS  31 -23.797 -21.318   0.148
  309   1HD   LYS  31          1HD       LYS  31 -23.955 -20.876   2.590
  310   2HD   LYS  31          2HD       LYS  31 -25.059 -22.243   2.746
  311   1HE   LYS  31          1HE       LYS  31 -22.410 -22.666   1.409
  312   2HE   LYS  31          2HE       LYS  31 -22.473 -22.577   3.169
  313   1HZ   LYS  31          1HZ       LYS  31 -24.420 -24.235   2.873
  314   2HZ   LYS  31          2HZ       LYS  31 -23.705 -24.544   1.363
  315   3HZ   LYS  31          3HZ       LYS  31 -22.820 -24.799   2.787
  316    QB   LYS  31           QB       LYS  31 -26.077 -20.399   1.103
  317    QD   LYS  31           QD       LYS  31 -24.507 -21.559   2.668
  318    QG   LYS  31           QG       LYS  31 -24.382 -21.972   0.237
  319    QE   LYS  31           QE       LYS  31 -22.442 -22.622   2.289
  320    QZ   LYS  31           QZ       LYS  31 -23.648 -24.526   2.341
  321    H    ARG  32           H        ARG  32 -26.560 -17.871  -1.105
  322    HA   ARG  32           HA       ARG  32 -29.467 -18.114  -0.641
  323   1HB   ARG  32          1HB       ARG  32 -27.594 -15.765  -0.947
  324   2HB   ARG  32          2HB       ARG  32 -29.344 -15.561  -0.916
  325   1HG   ARG  32          1HG       ARG  32 -28.269 -17.283   1.228
  326   2HG   ARG  32          2HG       ARG  32 -27.771 -15.593   1.320
  327   1HD   ARG  32          1HD       ARG  32 -30.639 -16.082   0.715
  328   2HD   ARG  32          2HD       ARG  32 -30.106 -16.486   2.347
  329    HE   ARG  32           HE       ARG  32 -29.175 -14.073   2.371
  330   1HH1  ARG  32          1HH1      ARG  32 -29.733 -12.614   0.185
  331   2HH1  ARG  32          2HH1      ARG  32 -31.403 -12.160   0.241
  332   1HH2  ARG  32          1HH2      ARG  32 -32.255 -14.574   2.580
  333   2HH2  ARG  32          2HH2      ARG  32 -32.831 -13.270   1.597
  334    QB   ARG  32           QB       ARG  32 -28.469 -15.663  -0.932
  335    QG   ARG  32           QG       ARG  32 -28.020 -16.438   1.274
  336    QD   ARG  32           QD       ARG  32 -30.373 -16.284   1.531
  337    QH1  ARG  32           QH1      ARG  32 -30.568 -12.387   0.213
  338    QH2  ARG  32           QH2      ARG  32 -32.543 -13.922   2.089
  339    H    GLY  33           H        GLY  33 -28.062 -19.084  -3.162
  340   1HA   GLY  33          1HA       GLY  33 -28.342 -18.932  -5.502
  341   2HA   GLY  33          2HA       GLY  33 -30.031 -18.684  -5.058
  342    QA   GLY  33           QA       GLY  33 -29.187 -18.808  -5.280
  343    H    ARG  34           H        ARG  34 -30.245 -17.230  -6.891
  344    HA   ARG  34           HA       ARG  34 -30.425 -15.045  -7.740
  345   1HB   ARG  34          1HB       ARG  34 -30.055 -14.714  -4.943
  346   2HB   ARG  34          2HB       ARG  34 -28.997 -13.549  -5.742
  347   1HG   ARG  34          2HG       ARG  34 -31.030 -12.973  -7.212
  348   2HG   ARG  34          1HG       ARG  34 -31.076 -12.424  -5.536
  349   1HD   ARG  34          1HD       ARG  34 -32.842 -14.278  -6.909
  350   2HD   ARG  34          2HD       ARG  34 -32.129 -15.026  -5.481
  351    HE   ARG  34           HE       ARG  34 -33.472 -12.366  -5.287
  352   1HH1  ARG  34          1HH1      ARG  34 -32.539 -13.154  -2.738
  353   2HH1  ARG  34          2HH1      ARG  34 -33.789 -14.154  -2.078
  354   1HH2  ARG  34          1HH2      ARG  34 -35.306 -14.737  -5.142
  355   2HH2  ARG  34          2HH2      ARG  34 -35.355 -15.054  -3.440
  356    QB   ARG  34           QB       ARG  34 -29.526 -14.132  -5.342
  357    QG   ARG  34           QG       ARG  34 -31.053 -12.698  -6.374
  358    QD   ARG  34           QD       ARG  34 -32.485 -14.652  -6.195
  359    QH1  ARG  34           QH1      ARG  34 -33.164 -13.654  -2.408
  360    QH2  ARG  34           QH2      ARG  34 -35.330 -14.895  -4.291

  No H/Q in entry =         360
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1 -14.335  10.657  19.682
    2    H2   MET   1           H2       MET   1 -12.680  10.420  19.983
    3    H3   MET   1           H3       MET   1 -13.446  11.840  20.513
    4    HA   MET   1           HA       MET   1 -13.523  12.770  18.439
    5   1HB   MET   1          1HB       MET   1 -11.083  11.291  19.075
    6   2HB   MET   1          2HB       MET   1 -11.260  11.579  17.344
    7   1HG   MET   1          1HG       MET   1 -11.286  13.909  17.602
    8   2HG   MET   1          2HG       MET   1 -11.751  13.811  19.301
    9   1HE   MET   1          1HE       MET   1  -9.260  14.826  17.058
   10   2HE   MET   1          2HE       MET   1  -9.496  15.782  18.519
   11   3HE   MET   1          3HE       MET   1  -7.907  15.110  18.161
   12    QB   MET   1           QB       MET   1 -11.171  11.435  18.209
   13    QG   MET   1           QG       MET   1 -11.518  13.860  18.451
   14    ME   MET   1           ME       MET   1  -8.888  15.239  17.913
   15    H    SER   2           H        SER   2 -14.610  12.500  16.553
   16    HA   SER   2           HA       SER   2 -14.999   9.732  15.549
   17   1HB   SER   2          1HB       SER   2 -16.816  11.692  15.925
   18   2HB   SER   2          2HB       SER   2 -16.369  12.035  14.257
   19    HG   SER   2           HG       SER   2 -17.987  10.533  14.188
   20    QB   SER   2           QB       SER   2 -16.593  11.864  15.091
   21    H    TRP   3           H        TRP   3 -14.480   9.163  13.397
   22    HA   TRP   3           HA       TRP   3 -12.899  11.184  11.866
   23   1HB   TRP   3          1HB       TRP   3 -12.186   8.333  12.551
   24   2HB   TRP   3          2HB       TRP   3 -11.502   9.124  11.131
   25    HD1  TRP   3           HD1      TRP   3 -10.967  11.977  12.139
   26    HE1  TRP   3           HE1      TRP   3  -9.210  12.448  13.966
   27    HE3  TRP   3           HE3      TRP   3 -10.683   7.359  14.300
   28    HZ2  TRP   3           HZ2      TRP   3  -7.863  11.050  16.067
   29    HZ3  TRP   3           HZ3      TRP   3  -9.157   6.957  16.210
   30    HH2  TRP   3           HH2      TRP   3  -7.747   8.795  17.096
   31    QB   TRP   3           QB       TRP   3 -11.844   8.729  11.841
   32    H    ALA   4           H        ALA   4 -12.401   9.665   9.594
   33    HA   ALA   4           HA       ALA   4 -14.403   8.038   8.550
   34   1HB   ALA   4          3HB       ALA   4 -16.187   9.487   8.841
   35   2HB   ALA   4          2HB       ALA   4 -15.647   9.988   7.238
   36   3HB   ALA   4          1HB       ALA   4 -15.184  10.925   8.658
   37    MB   ALA   4           MB       ALA   4 -15.673  10.133   8.246
   38    H    LEU   5           H        LEU   5 -13.194  11.207   7.385
   39    HA   LEU   5           HA       LEU   5 -12.465  10.133   4.809
   40   1HB   LEU   5          1HB       LEU   5 -12.116  12.721   6.246
   41   2HB   LEU   5          2HB       LEU   5 -11.010  12.394   4.914
   42    HG   LEU   5           HG       LEU   5 -12.957  13.559   4.041
   43   1HD1  LEU   5          1HD1      LEU   5 -12.032  11.079   3.133
   44   2HD1  LEU   5          2HD1      LEU   5 -13.791  10.946   3.069
   45   3HD1  LEU   5          3HD1      LEU   5 -12.973  12.248   2.206
   46   1HD2  LEU   5          1HD2      LEU   5 -14.323  11.822   5.929
   47   2HD2  LEU   5          2HD2      LEU   5 -14.910  13.286   5.141
   48   3HD2  LEU   5          3HD2      LEU   5 -15.065  11.728   4.332
   49    MD1  LEU   5           MD1      LEU   5 -12.932  11.424   2.803
   50    MD2  LEU   5           MD2      LEU   5 -14.766  12.279   5.134
   51    QB   LEU   5           QB       LEU   5 -11.563  12.558   5.580
   52    QD   LEU   5           QD       LEU   5 -13.849  11.852   3.968
   53    H    GLU   6           H        GLU   6 -10.660  10.788   7.794
   54    HA   GLU   6           HA       GLU   6  -8.063  10.225   6.703
   55   1HB   GLU   6          1HB       GLU   6  -9.248  10.437   9.433
   56   2HB   GLU   6          2HB       GLU   6  -7.704   9.598   9.284
   57   1HG   GLU   6          1HG       GLU   6  -6.773  11.555   8.079
   58   2HG   GLU   6          2HG       GLU   6  -8.308  12.398   8.288
   59    QB   GLU   6           QB       GLU   6  -8.476  10.018   9.358
   60    QG   GLU   6           QG       GLU   6  -7.540  11.977   8.183
   61    H    MET   7           H        MET   7 -10.722   8.200   7.409
   62    HA   MET   7           HA       MET   7  -8.999   5.803   7.736
   63   1HB   MET   7          1HB       MET   7 -11.186   6.323   9.084
   64   2HB   MET   7          2HB       MET   7 -12.003   5.738   7.634
   65   1HG   MET   7          1HG       MET   7 -11.100   3.583   7.838
   66   2HG   MET   7          2HG       MET   7  -9.776   4.132   8.866
   67   1HE   MET   7          1HE       MET   7  -9.946   4.839  11.269
   68   2HE   MET   7          2HE       MET   7 -10.838   3.720  12.297
   69   3HE   MET   7          3HE       MET   7  -9.743   3.102  11.053
   70    QB   MET   7           QB       MET   7 -11.595   6.030   8.359
   71    QG   MET   7           QG       MET   7 -10.438   3.858   8.352
   72    ME   MET   7           ME       MET   7 -10.175   3.887  11.540
   73    H    ALA   8           H        ALA   8 -11.428   7.172   5.531
   74    HA   ALA   8           HA       ALA   8 -11.378   4.925   3.711
   75   1HB   ALA   8          1HB       ALA   8 -13.017   7.077   4.005
   76   2HB   ALA   8          2HB       ALA   8 -12.056   7.593   2.618
   77   3HB   ALA   8          3HB       ALA   8 -12.964   6.083   2.550
   78    MB   ALA   8           MB       ALA   8 -12.679   6.918   3.058
   79    H    ASP   9           H        ASP   9 -10.027   8.238   3.377
   80    HA   ASP   9           HA       ASP   9  -8.622   7.986   1.021
   81   1HB   ASP   9          1HB       ASP   9  -8.576  10.049   2.330
   82   2HB   ASP   9          2HB       ASP   9  -7.623   9.259   3.586
   83    QB   ASP   9           QB       ASP   9  -8.099   9.654   2.958
   84    H    THR  10           H        THR  10  -7.135   7.223   4.198
   85    HA   THR  10           HA       THR  10  -4.761   6.088   3.358
   86    HB   THR  10           HB       THR  10  -5.612   4.303   5.328
   87    HG1  THR  10           HG1      THR  10  -6.642   5.804   6.790
   88   1HG2  THR  10          1HG2      THR  10  -4.183   6.950   5.333
   89   2HG2  THR  10          2HG2      THR  10  -4.465   6.083   6.843
   90   3HG2  THR  10          3HG2      THR  10  -3.517   5.332   5.559
   91    MG   THR  10           MG       THR  10  -4.055   6.122   5.912
   92    H    PHE  11           H        PHE  11  -7.933   4.465   3.460
   93    HA   PHE  11           HA       PHE  11  -7.054   1.903   2.592
   94   1HB   PHE  11          1HB       PHE  11  -9.522   3.153   3.138
   95   2HB   PHE  11          2HB       PHE  11  -9.641   2.573   1.477
   96    HD1  PHE  11           HD1      PHE  11  -7.852   0.198   1.581
   97    HD2  PHE  11           HD2      PHE  11 -10.808   1.592   4.369
   98    HE1  PHE  11           HE1      PHE  11  -8.164  -2.119   2.410
   99    HE2  PHE  11           HE2      PHE  11 -11.120  -0.724   5.196
  100    HZ   PHE  11           HZ       PHE  11  -9.798  -2.580   4.217
  101    QB   PHE  11           QB       PHE  11  -9.581   2.863   2.308
  102    QD   PHE  11           QD       PHE  11  -9.330   0.895   2.975
  103    QE   PHE  11           QE       PHE  11  -9.642  -1.421   3.803
  104    QR   PHE  11           QR       PHE  11  -9.548  -0.727   3.554
  105    H    LEU  12           H        LEU  12  -8.429   4.575   0.632
  106    HA   LEU  12           HA       LEU  12  -7.822   3.254  -1.870
  107   1HB   LEU  12          1HB       LEU  12  -9.083   5.730  -0.998
  108   2HB   LEU  12          2HB       LEU  12  -8.043   5.992  -2.400
  109    HG   LEU  12           HG       LEU  12  -9.258   3.715  -3.183
  110   1HD1  LEU  12          1HD1      LEU  12 -11.131   5.109  -1.266
  111   2HD1  LEU  12          2HD1      LEU  12 -11.734   4.106  -2.586
  112   3HD1  LEU  12          3HD1      LEU  12 -10.714   3.397  -1.335
  113   1HD2  LEU  12          1HD2      LEU  12  -9.692   6.594  -3.588
  114   2HD2  LEU  12          2HD2      LEU  12  -9.564   5.301  -4.780
  115   3HD2  LEU  12          3HD2      LEU  12 -11.104   5.614  -3.981
  116    MD1  LEU  12           MD1      LEU  12 -11.193   4.204  -1.729
  117    MD2  LEU  12           MD2      LEU  12 -10.120   5.837  -4.117
  118    QB   LEU  12           QB       LEU  12  -8.563   5.861  -1.699
  119    QD   LEU  12           QD       LEU  12 -10.656   5.020  -2.923
  120    H    ASP  13           H        ASP  13  -5.792   4.638   0.379
  121    HA   ASP  13           HA       ASP  13  -4.007   6.197  -1.195
  122   1HB   ASP  13          1HB       ASP  13  -4.107   5.471   1.437
  123   2HB   ASP  13          2HB       ASP  13  -2.759   4.487   0.868
  124    QB   ASP  13           QB       ASP  13  -3.433   4.979   1.153
  125    H    ASN  14           H        ASN  14  -3.540   2.781  -0.196
  126    HA   ASN  14           HA       ASN  14  -1.634   2.430  -2.420
  127   1HB   ASN  14          1HB       ASN  14  -1.607   0.018  -1.453
  128   2HB   ASN  14          2HB       ASN  14  -0.910   1.309  -0.474
  129   2HD2  ASN  14          1HD2      ASN  14  -3.493  -1.045  -0.646
  130   1HD2  ASN  14          2HD2      ASN  14  -4.204  -0.664   0.847
  131    QB   ASN  14           QB       ASN  14  -1.258   0.663  -0.963
  132    QD   ASN  14           QD       ASN  14  -3.849  -0.855   0.100
  133    H    MET  15           H        MET  15  -4.839   1.261  -1.437
  134    HA   MET  15           HA       MET  15  -6.403  -0.049  -2.633
  135   1HB   MET  15          1HB       MET  15  -6.653   2.176  -3.678
  136   2HB   MET  15          2HB       MET  15  -5.376   1.778  -4.828
  137   1HG   MET  15          1HG       MET  15  -7.346  -0.328  -4.799
  138   2HG   MET  15          2HG       MET  15  -8.137   1.222  -5.080
  139   1HE   MET  15          1HE       MET  15  -8.921   1.228  -7.034
  140   2HE   MET  15          2HE       MET  15  -7.899   2.566  -7.552
  141   3HE   MET  15          3HE       MET  15  -8.123   1.178  -8.613
  142    QB   MET  15           QB       MET  15  -6.014   1.977  -4.253
  143    QG   MET  15           QG       MET  15  -7.742   0.447  -4.940
  144    ME   MET  15           ME       MET  15  -8.314   1.657  -7.733
  145    H    ARG  16           H        ARG  16  -4.530  -1.777  -2.342
  146    HA   ARG  16           HA       ARG  16  -3.330  -2.575  -4.919
  147   1HB   ARG  16          1HB       ARG  16  -3.023  -3.338  -2.070
  148   2HB   ARG  16          2HB       ARG  16  -2.837  -4.658  -3.224
  149   1HG   ARG  16          1HG       ARG  16  -1.121  -3.431  -4.433
  150   2HG   ARG  16          2HG       ARG  16  -1.370  -2.013  -3.414
  151   1HD   ARG  16          1HD       ARG  16  -0.904  -4.280  -1.722
  152   2HD   ARG  16          2HD       ARG  16   0.370  -4.217  -2.939
  153    HE   ARG  16           HE       ARG  16  -0.248  -1.689  -1.531
  154   1HH1  ARG  16          1HH1      ARG  16   2.260  -1.577  -2.795
  155   2HH1  ARG  16          2HH1      ARG  16   3.400  -2.163  -1.629
  156   1HH2  ARG  16          1HH2      ARG  16   0.997  -3.699   0.342
  157   2HH2  ARG  16          2HH2      ARG  16   2.685  -3.364   0.147
  158    QB   ARG  16           QB       ARG  16  -2.930  -3.998  -2.647
  159    QG   ARG  16           QG       ARG  16  -1.245  -2.722  -3.924
  160    QD   ARG  16           QD       ARG  16  -0.267  -4.248  -2.330
  161    QH1  ARG  16           QH1      ARG  16   2.830  -1.870  -2.212
  162    QH2  ARG  16           QH2      ARG  16   1.841  -3.532   0.245
  163    H    VAL  17           H        VAL  17  -5.929  -2.552  -5.388
  164    HA   VAL  17           HA       VAL  17  -7.883  -3.804  -5.770
  165    HB   VAL  17           HB       VAL  17  -6.377  -4.673  -7.508
  166   1HG1  VAL  17          1HG1      VAL  17  -5.551  -6.601  -5.322
  167   2HG1  VAL  17          2HG1      VAL  17  -5.185  -6.849  -7.029
  168   3HG1  VAL  17          3HG1      VAL  17  -4.523  -5.453  -6.179
  169   1HG2  VAL  17          1HG2      VAL  17  -8.700  -5.770  -6.749
  170   2HG2  VAL  17          2HG2      VAL  17  -7.738  -6.455  -8.059
  171   3HG2  VAL  17          3HG2      VAL  17  -7.651  -7.155  -6.443
  172    MG1  VAL  17           MG1      VAL  17  -5.086  -6.301  -6.177
  173    MG2  VAL  17           MG2      VAL  17  -8.030  -6.460  -7.084
  174    QG   VAL  17           QG       VAL  17  -6.558  -6.380  -6.630
  175    H    GLY  18           H        GLY  18  -7.230  -3.715  -3.028
  176   1HA   GLY  18          1HA       GLY  18  -7.710  -4.836  -1.017
  177   2HA   GLY  18          2HA       GLY  18  -8.802  -5.829  -1.983
  178    QA   GLY  18           QA       GLY  18  -8.256  -5.333  -1.500
  179   1HB   PRO  19          1HB       PRO  19  -3.190  -7.393   0.686
  180   2HB   PRO  19          2HB       PRO  19  -2.916  -6.510  -0.826
  181   1HG   PRO  19          2HG       PRO  19  -3.596  -4.664   0.387
  182   2HG   PRO  19          1HG       PRO  19  -4.424  -5.653   1.601
  183   1HD   PRO  19          1HD       PRO  19  -6.386  -5.102   0.539
  184   2HD   PRO  19          2HD       PRO  19  -5.514  -4.408  -0.843
  185    QB   PRO  19           QB       PRO  19  -3.053  -6.952  -0.070
  186    QG   PRO  19           QG       PRO  19  -4.010  -5.158   0.994
  187    QD   PRO  19           QD       PRO  19  -5.950  -4.755  -0.152
  188    H    ARG  20           H        ARG  20  -5.671  -9.869  -1.302
  189    HA   ARG  20           HA       ARG  20  -6.496 -10.448   1.508
  190   1HB   ARG  20          1HB       ARG  20  -7.531 -11.216  -1.169
  191   2HB   ARG  20          2HB       ARG  20  -7.591 -12.467   0.073
  192   1HG   ARG  20          1HG       ARG  20  -8.579 -10.546   1.567
  193   2HG   ARG  20          2HG       ARG  20  -8.955  -9.792   0.017
  194   1HD   ARG  20          2HD       ARG  20  -9.759 -12.427  -0.338
  195   2HD   ARG  20          1HD       ARG  20 -10.823 -11.064   0.008
  196    HE   ARG  20           HE       ARG  20  -9.695 -12.857   2.122
  197   1HH1  ARG  20          1HH1      ARG  20 -10.664 -10.496   3.406
  198   2HH1  ARG  20          2HH1      ARG  20 -12.363 -10.768   3.610
  199   1HH2  ARG  20          1HH2      ARG  20 -12.503 -13.321   1.266
  200   2HH2  ARG  20          2HH2      ARG  20 -13.404 -12.369   2.398
  201    QB   ARG  20           QB       ARG  20  -7.561 -11.842  -0.548
  202    QG   ARG  20           QG       ARG  20  -8.767 -10.169   0.792
  203    QD   ARG  20           QD       ARG  20 -10.291 -11.746  -0.165
  204    QH1  ARG  20           QH1      ARG  20 -11.513 -10.632   3.508
  205    QH2  ARG  20           QH2      ARG  20 -12.954 -12.845   1.832
  206    H    THR  21           H        THR  21  -3.752 -10.715   0.125
  207    HA   THR  21           HA       THR  21  -1.948 -12.187   0.490
  208    HB   THR  21           HB       THR  21  -3.889 -14.210   1.608
  209    HG1  THR  21           HG1      THR  21  -4.171 -13.014   3.303
  210   1HG2  THR  21          1HG2      THR  21  -0.986 -13.519   2.126
  211   2HG2  THR  21          2HG2      THR  21  -1.898 -14.726   3.030
  212   3HG2  THR  21          3HG2      THR  21  -1.597 -14.956   1.307
  213    MG   THR  21           MG       THR  21  -1.494 -14.400   2.154
  214    H    TYR  22           H        TYR  22  -3.533 -12.092  -1.933
  215    HA   TYR  22           HA       TYR  22  -3.552 -13.260  -3.975
  216   1HB   TYR  22          1HB       TYR  22  -1.536 -14.575  -2.395
  217   2HB   TYR  22          2HB       TYR  22  -2.440 -15.783  -3.308
  218    HD1  TYR  22           HD1      TYR  22  -3.118 -14.750  -5.801
  219    HD2  TYR  22           HD2      TYR  22   0.381 -13.833  -3.484
  220    HE1  TYR  22           HE1      TYR  22  -1.922 -14.087  -7.870
  221    HE2  TYR  22           HE2      TYR  22   1.577 -13.169  -5.553
  222    HH   TYR  22           HH       TYR  22   0.155 -13.666  -8.737
  223    QB   TYR  22           QB       TYR  22  -1.988 -15.179  -2.852
  224    QD   TYR  22           QD       TYR  22  -1.369 -14.291  -4.643
  225    QE   TYR  22           QE       TYR  22  -0.173 -13.628  -6.712
  226    QR   TYR  22           QR       TYR  22  -0.771 -13.960  -5.677
  227    H    ALA  23           H        ALA  23  -5.273 -13.955  -1.317
  228    HA   ALA  23           HA       ALA  23  -6.406 -16.523  -2.079
  229   1HB   ALA  23          3HB       ALA  23  -6.521 -15.936   0.255
  230   2HB   ALA  23          1HB       ALA  23  -7.294 -14.396  -0.121
  231   3HB   ALA  23          2HB       ALA  23  -8.172 -15.907  -0.366
  232    MB   ALA  23           MB       ALA  23  -7.329 -15.413  -0.078
  233    H    ASP  24           H        ASP  24  -7.095 -13.183  -2.610
  234    HA   ASP  24           HA       ASP  24  -9.701 -13.625  -3.842
  235   1HB   ASP  24          1HB       ASP  24  -8.071 -11.357  -3.079
  236   2HB   ASP  24          2HB       ASP  24  -8.663 -11.154  -4.728
  237    QB   ASP  24           QB       ASP  24  -8.367 -11.256  -3.903
  238    H    VAL  25           H        VAL  25  -6.503 -12.614  -5.121
  239    HA   VAL  25           HA       VAL  25  -7.168 -12.810  -7.869
  240    HB   VAL  25           HB       VAL  25  -4.496 -13.472  -6.589
  241   1HG1  VAL  25          1HG1      VAL  25  -4.785 -14.078  -9.005
  242   2HG1  VAL  25          2HG1      VAL  25  -5.160 -12.388  -9.342
  243   3HG1  VAL  25          3HG1      VAL  25  -3.563 -12.833  -8.742
  244   1HG2  VAL  25          1HG2      VAL  25  -5.819 -11.157  -6.187
  245   2HG2  VAL  25          2HG2      VAL  25  -4.066 -11.223  -6.371
  246   3HG2  VAL  25          3HG2      VAL  25  -5.080 -10.790  -7.746
  247    MG1  VAL  25           MG1      VAL  25  -4.503 -13.100  -9.030
  248    MG2  VAL  25           MG2      VAL  25  -4.988 -11.056  -6.768
  249    QG   VAL  25           QG       VAL  25  -4.746 -12.078  -7.899
  250    H    ARG  26           H        ARG  26  -5.982 -15.266  -5.592
  251    HA   ARG  26           HA       ARG  26  -5.722 -17.395  -7.479
  252   1HB   ARG  26          1HB       ARG  26  -4.878 -17.364  -5.080
  253   2HB   ARG  26          2HB       ARG  26  -6.536 -17.697  -4.577
  254   1HG   ARG  26          1HG       ARG  26  -6.535 -19.830  -5.503
  255   2HG   ARG  26          2HG       ARG  26  -5.285 -19.430  -6.681
  256   1HD   ARG  26          1HD       ARG  26  -4.635 -19.390  -3.746
  257   2HD   ARG  26          2HD       ARG  26  -4.662 -20.923  -4.618
  258    HE   ARG  26           HE       ARG  26  -2.874 -18.637  -5.344
  259   1HH1  ARG  26          1HH1      ARG  26  -2.853 -21.711  -4.094
  260   2HH1  ARG  26          2HH1      ARG  26  -1.739 -22.380  -5.239
  261   1HH2  ARG  26          1HH2      ARG  26  -1.796 -19.603  -7.314
  262   2HH2  ARG  26          2HH2      ARG  26  -1.140 -21.186  -7.062
  263    QB   ARG  26           QB       ARG  26  -5.707 -17.530  -4.829
  264    QG   ARG  26           QG       ARG  26  -5.910 -19.630  -6.092
  265    QD   ARG  26           QD       ARG  26  -4.648 -20.157  -4.182
  266    QH1  ARG  26           QH1      ARG  26  -2.296 -22.045  -4.666
  267    QH2  ARG  26           QH2      ARG  26  -1.468 -20.395  -7.188
  268    H    ASP  27           H        ASP  27  -8.486 -16.355  -5.473
  269    HA   ASP  27           HA       ASP  27 -10.259 -18.463  -6.241
  270   1HB   ASP  27          1HB       ASP  27 -10.859 -17.069  -4.375
  271   2HB   ASP  27          2HB       ASP  27 -10.771 -15.609  -5.361
  272    QB   ASP  27           QB       ASP  27 -10.815 -16.339  -4.868
  273    H    GLU  28           H        GLU  28  -9.465 -15.364  -7.767
  274    HA   GLU  28           HA       GLU  28 -11.497 -15.198  -9.687
  275   1HB   GLU  28          1HB       GLU  28  -8.831 -14.131  -9.352
  276   2HB   GLU  28          2HB       GLU  28  -9.106 -14.549 -11.044
  277   1HG   GLU  28          1HG       GLU  28 -11.327 -13.317 -10.864
  278   2HG   GLU  28          2HG       GLU  28 -10.765 -12.712  -9.305
  279    QB   GLU  28           QB       GLU  28  -8.968 -14.340 -10.198
  280    QG   GLU  28           QG       GLU  28 -11.046 -13.015 -10.084
  281    H    ILE  29           H        ILE  29  -8.685 -17.312  -9.589
  282    HA   ILE  29           HA       ILE  29  -8.722 -18.313 -12.219
  283    HB   ILE  29           HB       ILE  29  -8.051 -19.656  -9.611
  284   1HG1  ILE  29          1HG1      ILE  29  -6.383 -18.499 -11.868
  285   2HG1  ILE  29          2HG1      ILE  29  -6.571 -17.815 -10.253
  286   1HG2  ILE  29          1HG2      ILE  29  -8.748 -21.297 -11.388
  287   2HG2  ILE  29          2HG2      ILE  29  -7.465 -20.656 -12.414
  288   3HG2  ILE  29          3HG2      ILE  29  -7.062 -21.461 -10.898
  289   1HD1  ILE  29          1HD1      ILE  29  -5.533 -20.621 -10.646
  290   2HD1  ILE  29          2HD1      ILE  29  -4.451 -19.229 -10.716
  291   3HD1  ILE  29          3HD1      ILE  29  -5.355 -19.571  -9.240
  292    MG   ILE  29           MG       ILE  29  -7.758 -21.138 -11.567
  293    MD   ILE  29           MD       ILE  29  -5.113 -19.807 -10.201
  294    QG   ILE  29           QG       ILE  29  -6.477 -18.157 -11.061
  295    H    ASN  30           H        ASN  30  -9.929 -20.132  -9.558
  296    HA   ASN  30           HA       ASN  30 -11.564 -21.930 -10.909
  297   1HB   ASN  30          1HB       ASN  30 -11.374 -20.911  -8.170
  298   2HB   ASN  30          2HB       ASN  30 -13.008 -21.421  -8.593
  299   2HD2  ASN  30          1HD2      ASN  30  -9.820 -22.736  -9.643
  300   1HD2  ASN  30          2HD2      ASN  30 -10.123 -24.314  -9.096
  301    QB   ASN  30           QB       ASN  30 -12.191 -21.166  -8.382
  302    QD   ASN  30           QD       ASN  30  -9.971 -23.525  -9.369
  303    H    LYS  31           H        LYS  31 -12.137 -18.536 -10.374
  304    HA   LYS  31           HA       LYS  31 -15.009 -18.651 -10.808
  305   1HB   LYS  31          1HB       LYS  31 -13.247 -16.733  -9.876
  306   2HB   LYS  31          2HB       LYS  31 -13.713 -16.107 -11.458
  307   1HG   LYS  31          1HG       LYS  31 -16.140 -16.696 -10.721
  308   2HG   LYS  31          2HG       LYS  31 -15.466 -16.734  -9.091
  309   1HD   LYS  31          2HD       LYS  31 -14.478 -14.391 -10.395
  310   2HD   LYS  31          1HD       LYS  31 -15.551 -14.491  -8.998
  311   1HE   LYS  31          1HE       LYS  31 -16.180 -13.705 -11.697
  312   2HE   LYS  31          2HE       LYS  31 -17.111 -15.143 -11.279
  313   1HZ   LYS  31          1HZ       LYS  31 -16.982 -13.174  -9.181
  314   2HZ   LYS  31          2HZ       LYS  31 -17.763 -12.622 -10.583
  315   3HZ   LYS  31          3HZ       LYS  31 -18.320 -14.021  -9.796
  316    QB   LYS  31           QB       LYS  31 -13.480 -16.420 -10.667
  317    QD   LYS  31           QD       LYS  31 -15.014 -14.441  -9.697
  318    QG   LYS  31           QG       LYS  31 -15.803 -16.715  -9.906
  319    QE   LYS  31           QE       LYS  31 -16.645 -14.424 -11.488
  320    QZ   LYS  31           QZ       LYS  31 -17.688 -13.272  -9.853
  321    H    ARG  32           H        ARG  32 -12.202 -17.926 -12.862
  322    HA   ARG  32           HA       ARG  32 -13.973 -17.604 -15.200
  323   1HB   ARG  32          2HB       ARG  32 -12.071 -16.758 -16.334
  324   2HB   ARG  32          1HB       ARG  32 -10.955 -17.543 -15.217
  325   1HG   ARG  32          1HG       ARG  32 -11.836 -16.070 -13.390
  326   2HG   ARG  32          2HG       ARG  32 -11.047 -15.171 -14.688
  327   1HD   ARG  32          1HD       ARG  32 -13.642 -15.313 -15.590
  328   2HD   ARG  32          2HD       ARG  32 -13.867 -15.159 -13.847
  329    HE   ARG  32           HE       ARG  32 -12.025 -13.197 -14.374
  330   1HH1  ARG  32          1HH1      ARG  32 -13.254 -13.344 -17.186
  331   2HH1  ARG  32          2HH1      ARG  32 -14.444 -12.090 -17.082
  332   1HH2  ARG  32          1HH2      ARG  32 -14.329 -11.902 -13.622
  333   2HH2  ARG  32          2HH2      ARG  32 -15.053 -11.274 -15.064
  334    QB   ARG  32           QB       ARG  32 -11.513 -17.151 -15.775
  335    QG   ARG  32           QG       ARG  32 -11.442 -15.621 -14.039
  336    QD   ARG  32           QD       ARG  32 -13.755 -15.236 -14.719
  337    QH1  ARG  32           QH1      ARG  32 -13.849 -12.717 -17.134
  338    QH2  ARG  32           QH2      ARG  32 -14.691 -11.588 -14.343
  339    H    GLY  33           H        GLY  33 -11.267 -18.831 -16.513
  340   1HA   GLY  33          1HA       GLY  33 -10.533 -21.187 -16.687
  341   2HA   GLY  33          2HA       GLY  33 -12.180 -21.663 -16.267
  342    QA   GLY  33           QA       GLY  33 -11.357 -21.425 -16.477
  343    H    ARG  34           H        ARG  34 -12.516 -22.863 -18.194
  344    HA   ARG  34           HA       ARG  34 -12.555 -21.226 -20.699
  345   1HB   ARG  34          2HB       ARG  34 -12.295 -23.336 -21.926
  346   2HB   ARG  34          1HB       ARG  34 -12.327 -24.238 -20.410
  347   1HG   ARG  34          1HG       ARG  34 -10.165 -22.539 -21.571
  348   2HG   ARG  34          2HG       ARG  34 -10.357 -22.510 -19.818
  349   1HD   ARG  34          1HD       ARG  34 -10.049 -25.020 -21.492
  350   2HD   ARG  34          2HD       ARG  34  -8.766 -24.273 -20.539
  351    HE   ARG  34           HE       ARG  34 -11.034 -24.777 -18.858
  352   1HH1  ARG  34          1HH1      ARG  34  -7.902 -25.564 -19.021
  353   2HH1  ARG  34          2HH1      ARG  34  -8.058 -27.245 -18.633
  354   1HH2  ARG  34          1HH2      ARG  34 -11.504 -27.288 -19.026
  355   2HH2  ARG  34          2HH2      ARG  34 -10.096 -28.220 -18.635
  356    QB   ARG  34           QB       ARG  34 -12.311 -23.787 -21.168
  357    QG   ARG  34           QG       ARG  34 -10.261 -22.525 -20.695
  358    QD   ARG  34           QD       ARG  34  -9.407 -24.646 -21.015
  359    QH1  ARG  34           QH1      ARG  34  -7.980 -26.404 -18.827
  360    QH2  ARG  34           QH2      ARG  34 -10.800 -27.754 -18.831

  No H/Q in entry =         360
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1 -15.662  15.129   8.074
    2    H2   MET   1           H2       MET   1 -14.354  16.104   8.547
    3    H3   MET   1           H3       MET   1 -14.124  14.862   7.410
    4    HA   MET   1           HA       MET   1 -13.429  13.646   9.132
    5   1HB   MET   1          1HB       MET   1 -14.866  15.754  10.740
    6   2HB   MET   1          2HB       MET   1 -14.234  14.300  11.512
    7   1HG   MET   1          1HG       MET   1 -12.210  15.328   9.774
    8   2HG   MET   1          2HG       MET   1 -12.804  16.658  10.768
    9   1HE   MET   1          1HE       MET   1 -10.239  15.190  10.300
   10   2HE   MET   1          2HE       MET   1  -9.624  15.904  11.789
   11   3HE   MET   1          3HE       MET   1  -9.595  14.154  11.581
   12    QB   MET   1           QB       MET   1 -14.550  15.027  11.126
   13    QG   MET   1           QG       MET   1 -12.507  15.993  10.271
   14    ME   MET   1           ME       MET   1  -9.819  15.083  11.223
   15    H    SER   2           H        SER   2 -15.984  13.359   7.617
   16    HA   SER   2           HA       SER   2 -17.647  11.881   9.597
   17   1HB   SER   2          1HB       SER   2 -19.120  11.716   7.385
   18   2HB   SER   2          2HB       SER   2 -19.132  13.172   8.375
   19    HG   SER   2           HG       SER   2 -18.742  13.414   6.026
   20    QB   SER   2           QB       SER   2 -19.126  12.444   7.880
   21    H    TRP   3           H        TRP   3 -16.948  11.320   6.144
   22    HA   TRP   3           HA       TRP   3 -15.729   8.718   6.801
   23   1HB   TRP   3          2HB       TRP   3 -18.219   8.329   6.662
   24   2HB   TRP   3          1HB       TRP   3 -17.289   7.416   5.475
   25    HD1  TRP   3           HD1      TRP   3 -19.034  10.878   5.645
   26    HE1  TRP   3           HE1      TRP   3 -20.143  11.323   3.360
   27    HE3  TRP   3           HE3      TRP   3 -17.617   6.660   3.137
   28    HZ2  TRP   3           HZ2      TRP   3 -20.400  10.056   0.808
   29    HZ3  TRP   3           HZ3      TRP   3 -18.308   6.305   0.783
   30    HH2  TRP   3           HH2      TRP   3 -19.696   7.996  -0.383
   31    QB   TRP   3           QB       TRP   3 -17.754   7.873   6.069
   32    H    ALA   4           H        ALA   4 -15.336   7.603   4.400
   33    HA   ALA   4           HA       ALA   4 -14.458   7.855   2.222
   34   1HB   ALA   4          1HB       ALA   4 -15.965  10.151   2.456
   35   2HB   ALA   4          3HB       ALA   4 -15.054   9.680   1.021
   36   3HB   ALA   4          2HB       ALA   4 -14.343  10.790   2.192
   37    MB   ALA   4           MB       ALA   4 -15.121  10.207   1.890
   38    H    LEU   5           H        LEU   5 -13.374  10.254   4.639
   39    HA   LEU   5           HA       LEU   5 -10.647  10.217   3.577
   40   1HB   LEU   5          1HB       LEU   5 -11.515  12.274   4.578
   41   2HB   LEU   5          2HB       LEU   5 -11.816  11.433   6.098
   42    HG   LEU   5           HG       LEU   5  -9.225  10.830   5.840
   43   1HD1  LEU   5          1HD1      LEU   5  -9.655  13.363   4.243
   44   2HD1  LEU   5          2HD1      LEU   5  -8.105  12.972   4.987
   45   3HD1  LEU   5          3HD1      LEU   5  -8.786  11.908   3.756
   46   1HD2  LEU   5          1HD2      LEU   5 -10.682  13.147   7.021
   47   2HD2  LEU   5          2HD2      LEU   5  -9.706  11.911   7.816
   48   3HD2  LEU   5          3HD2      LEU   5  -8.921  13.255   6.986
   49    MD1  LEU   5           MD1      LEU   5  -8.849  12.748   4.328
   50    MD2  LEU   5           MD2      LEU   5  -9.769  12.771   7.274
   51    QB   LEU   5           QB       LEU   5 -11.665  11.853   5.338
   52    QD   LEU   5           QD       LEU   5  -9.309  12.759   5.801
   53    H    GLU   6           H        GLU   6 -12.430   8.753   6.253
   54    HA   GLU   6           HA       GLU   6 -10.057   7.660   7.528
   55   1HB   GLU   6          1HB       GLU   6 -12.261   8.092   8.688
   56   2HB   GLU   6          2HB       GLU   6 -12.916   6.704   7.817
   57   1HG   GLU   6          1HG       GLU   6 -10.951   5.366   8.768
   58   2HG   GLU   6          2HG       GLU   6 -10.678   6.733   9.849
   59    QB   GLU   6           QB       GLU   6 -12.589   7.398   8.252
   60    QG   GLU   6           QG       GLU   6 -10.815   6.050   9.309
   61    H    MET   7           H        MET   7 -11.918   6.752   4.781
   62    HA   MET   7           HA       MET   7 -10.968   3.940   4.946
   63   1HB   MET   7          1HB       MET   7 -13.105   5.355   3.383
   64   2HB   MET   7          2HB       MET   7 -12.429   3.853   2.752
   65   1HG   MET   7          1HG       MET   7 -13.025   3.646   5.595
   66   2HG   MET   7          2HG       MET   7 -14.458   4.074   4.660
   67   1HE   MET   7          1HE       MET   7 -15.488   2.972   2.979
   68   2HE   MET   7          2HE       MET   7 -14.213   2.614   1.817
   69   3HE   MET   7          3HE       MET   7 -15.263   1.320   2.410
   70    QB   MET   7           QB       MET   7 -12.767   4.604   3.067
   71    QG   MET   7           QG       MET   7 -13.741   3.860   5.127
   72    ME   MET   7           ME       MET   7 -14.988   2.302   2.402
   73    H    ALA   8           H        ALA   8 -10.860   6.825   2.955
   74    HA   ALA   8           HA       ALA   8  -9.039   5.684   0.980
   75   1HB   ALA   8          1HB       ALA   8 -10.752   7.301   0.302
   76   2HB   ALA   8          3HB       ALA   8  -9.136   7.904  -0.066
   77   3HB   ALA   8          2HB       ALA   8 -10.010   8.522   1.335
   78    MB   ALA   8           MB       ALA   8  -9.966   7.909   0.524
   79    H    ASP   9           H        ASP   9  -8.479   7.582   3.883
   80    HA   ASP   9           HA       ASP   9  -6.389   9.122   3.450
   81   1HB   ASP   9          1HB       ASP   9  -5.625   8.679   5.687
   82   2HB   ASP   9          2HB       ASP   9  -7.379   8.508   5.661
   83    QB   ASP   9           QB       ASP   9  -6.502   8.594   5.674
   84    H    THR  10           H        THR  10  -4.341   7.566   4.986
   85    HA   THR  10           HA       THR  10  -2.185   7.384   3.427
   86    HB   THR  10           HB       THR  10  -2.900   5.230   5.431
   87    HG1  THR  10           HG1      THR  10  -2.881   6.883   6.714
   88   1HG2  THR  10          1HG2      THR  10  -0.299   6.211   4.244
   89   2HG2  THR  10          2HG2      THR  10  -0.370   5.266   5.731
   90   3HG2  THR  10          3HG2      THR  10  -0.948   4.571   4.216
   91    MG   THR  10           MG       THR  10  -0.539   5.349   4.730
   92    H    PHE  11           H        PHE  11  -3.231   6.812   1.313
   93    HA   PHE  11           HA       PHE  11  -3.507   5.310  -0.475
   94   1HB   PHE  11          1HB       PHE  11  -2.135   3.410   1.420
   95   2HB   PHE  11          2HB       PHE  11  -2.457   3.105  -0.286
   96    HD1  PHE  11           HD1      PHE  11  -1.829   5.539  -1.655
   97    HD2  PHE  11           HD2      PHE  11   0.171   3.788   1.719
   98    HE1  PHE  11           HE1      PHE  11   0.255   6.731  -2.273
   99    HE2  PHE  11           HE2      PHE  11   2.256   4.981   1.100
  100    HZ   PHE  11           HZ       PHE  11   2.298   6.453  -0.896
  101    QB   PHE  11           QB       PHE  11  -2.296   3.257   0.567
  102    QD   PHE  11           QD       PHE  11  -0.829   4.664   0.032
  103    QE   PHE  11           QE       PHE  11   1.256   5.856  -0.587
  104    QR   PHE  11           QR       PHE  11   0.630   5.498  -0.401
  105    H    LEU  12           H        LEU  12  -5.068   5.281   2.330
  106    HA   LEU  12           HA       LEU  12  -6.376   2.775   2.380
  107   1HB   LEU  12          1HB       LEU  12  -6.232   5.119   3.915
  108   2HB   LEU  12          2HB       LEU  12  -7.895   5.075   3.368
  109    HG   LEU  12           HG       LEU  12  -7.376   2.430   4.066
  110   1HD1  LEU  12          1HD1      LEU  12  -5.390   3.995   5.288
  111   2HD1  LEU  12          2HD1      LEU  12  -6.569   3.671   6.558
  112   3HD1  LEU  12          3HD1      LEU  12  -5.820   2.333   5.688
  113   1HD2  LEU  12          1HD2      LEU  12  -8.910   4.706   5.139
  114   2HD2  LEU  12          2HD2      LEU  12  -9.410   3.037   4.862
  115   3HD2  LEU  12          3HD2      LEU  12  -8.536   3.464   6.332
  116    MD1  LEU  12           MD1      LEU  12  -5.926   3.333   5.845
  117    MD2  LEU  12           MD2      LEU  12  -8.952   3.736   5.444
  118    QB   LEU  12           QB       LEU  12  -7.064   5.097   3.641
  119    QD   LEU  12           QD       LEU  12  -7.439   3.534   5.644
  120    H    ASP  13           H        ASP  13  -6.324   5.508   0.319
  121    HA   ASP  13           HA       ASP  13  -9.031   5.387  -0.726
  122   1HB   ASP  13          1HB       ASP  13  -7.160   7.218  -1.019
  123   2HB   ASP  13          2HB       ASP  13  -6.683   6.225  -2.398
  124    QB   ASP  13           QB       ASP  13  -6.921   6.722  -1.709
  125    H    ASN  14           H        ASN  14  -5.929   4.026  -1.873
  126    HA   ASN  14           HA       ASN  14  -7.531   2.120  -3.531
  127   1HB   ASN  14          1HB       ASN  14  -4.717   3.173  -3.955
  128   2HB   ASN  14          2HB       ASN  14  -5.490   1.943  -4.956
  129   2HD2  ASN  14          1HD2      ASN  14  -5.947   3.030  -6.897
  130   1HD2  ASN  14          2HD2      ASN  14  -6.795   4.496  -6.997
  131    QB   ASN  14           QB       ASN  14  -5.103   2.558  -4.455
  132    QD   ASN  14           QD       ASN  14  -6.371   3.763  -6.947
  133    H    MET  15           H        MET  15  -6.969   1.693  -0.750
  134    HA   MET  15           HA       MET  15  -5.881  -0.957  -0.845
  135   1HB   MET  15          1HB       MET  15  -3.880   0.925  -0.906
  136   2HB   MET  15          2HB       MET  15  -4.030   0.616   0.824
  137   1HG   MET  15          1HG       MET  15  -4.185  -1.910  -0.431
  138   2HG   MET  15          2HG       MET  15  -2.856  -1.058  -1.218
  139   1HE   MET  15          1HE       MET  15  -0.785  -1.410  -0.630
  140   2HE   MET  15          2HE       MET  15  -0.773   0.111   0.260
  141   3HE   MET  15          3HE       MET  15  -0.037  -1.336   0.963
  142    QB   MET  15           QB       MET  15  -3.955   0.770  -0.041
  143    QG   MET  15           QG       MET  15  -3.521  -1.484  -0.824
  144    ME   MET  15           ME       MET  15  -0.532  -0.878   0.198
  145    H    ARG  16           H        ARG  16  -7.877  -1.211   0.376
  146    HA   ARG  16           HA       ARG  16  -7.950   0.053   3.057
  147   1HB   ARG  16          1HB       ARG  16  -9.935  -0.482   1.229
  148   2HB   ARG  16          2HB       ARG  16 -10.093  -1.839   2.345
  149   1HG   ARG  16          1HG       ARG  16  -9.744   0.263   4.076
  150   2HG   ARG  16          2HG       ARG  16 -10.660   1.022   2.774
  151   1HD   ARG  16          1HD       ARG  16 -12.530  -0.255   3.157
  152   2HD   ARG  16          2HD       ARG  16 -11.594  -1.658   3.672
  153    HE   ARG  16           HE       ARG  16 -11.414   0.528   5.576
  154   1HH1  ARG  16          1HH1      ARG  16 -13.445  -1.991   4.373
  155   2HH1  ARG  16          2HH1      ARG  16 -14.198  -2.292   5.904
  156   1HH2  ARG  16          1HH2      ARG  16 -12.336   0.094   7.595
  157   2HH2  ARG  16          2HH2      ARG  16 -13.571  -1.114   7.726
  158    QB   ARG  16           QB       ARG  16 -10.014  -1.161   1.787
  159    QG   ARG  16           QG       ARG  16 -10.202   0.642   3.425
  160    QD   ARG  16           QD       ARG  16 -12.062  -0.957   3.415
  161    QH1  ARG  16           QH1      ARG  16 -13.821  -2.142   5.139
  162    QH2  ARG  16           QH2      ARG  16 -12.953  -0.510   7.660
  163    H    VAL  17           H        VAL  17  -5.887  -1.525   3.246
  164    HA   VAL  17           HA       VAL  17  -5.010  -3.316   4.485
  165    HB   VAL  17           HB       VAL  17  -7.891  -3.844   5.268
  166   1HG1  VAL  17          1HG1      VAL  17  -5.195  -4.719   6.264
  167   2HG1  VAL  17          2HG1      VAL  17  -6.541  -4.588   7.397
  168   3HG1  VAL  17          3HG1      VAL  17  -6.653  -5.678   6.014
  169   1HG2  VAL  17          1HG2      VAL  17  -7.120  -1.475   5.680
  170   2HG2  VAL  17          2HG2      VAL  17  -7.523  -2.364   7.148
  171   3HG2  VAL  17          3HG2      VAL  17  -5.835  -2.131   6.693
  172    MG1  VAL  17           MG1      VAL  17  -6.130  -4.995   6.558
  173    MG2  VAL  17           MG2      VAL  17  -6.826  -1.990   6.507
  174    QG   VAL  17           QG       VAL  17  -6.478  -3.492   6.533
  175    H    GLY  18           H        GLY  18  -5.814  -3.667   1.696
  176   1HA   GLY  18          1HA       GLY  18  -5.618  -5.572   0.278
  177   2HA   GLY  18          2HA       GLY  18  -5.855  -6.609   1.685
  178    QA   GLY  18           QA       GLY  18  -5.737  -6.091   0.982
  179   1HB   PRO  19          1HB       PRO  19  -9.815  -8.984  -1.612
  180   2HB   PRO  19          2HB       PRO  19  -9.097  -7.655  -2.539
  181   1HG   PRO  19          2HG       PRO  19  -7.142  -8.873  -2.353
  182   2HG   PRO  19          1HG       PRO  19  -7.740  -9.789  -0.960
  183   1HD   PRO  19          1HD       PRO  19  -6.461  -8.407   0.356
  184   2HD   PRO  19          2HD       PRO  19  -6.142  -7.311  -1.006
  185    QB   PRO  19           QB       PRO  19  -9.456  -8.319  -2.076
  186    QG   PRO  19           QG       PRO  19  -7.441  -9.331  -1.656
  187    QD   PRO  19           QD       PRO  19  -6.301  -7.859  -0.325
  188    H    ARG  20           H        ARG  20 -11.524  -8.506  -0.586
  189    HA   ARG  20           HA       ARG  20 -11.474  -9.298   2.298
  190   1HB   ARG  20          2HB       ARG  20 -13.811  -8.835   2.506
  191   2HB   ARG  20          1HB       ARG  20 -13.991  -8.611   0.765
  192   1HG   ARG  20          1HG       ARG  20 -12.259  -6.851   2.525
  193   2HG   ARG  20          2HG       ARG  20 -12.674  -6.581   0.832
  194   1HD   ARG  20          1HD       ARG  20 -14.803  -6.807   2.962
  195   2HD   ARG  20          2HD       ARG  20 -14.028  -5.267   2.590
  196    HE   ARG  20           HE       ARG  20 -16.022  -6.589   0.961
  197   1HH1  ARG  20          1HH1      ARG  20 -14.422  -3.739   1.319
  198   2HH1  ARG  20          2HH1      ARG  20 -14.238  -3.388  -0.367
  199   1HH2  ARG  20          1HH2      ARG  20 -15.253  -6.538  -1.406
  200   2HH2  ARG  20          2HH2      ARG  20 -14.708  -4.972  -1.910
  201    QB   ARG  20           QB       ARG  20 -13.901  -8.723   1.635
  202    QG   ARG  20           QG       ARG  20 -12.467  -6.716   1.679
  203    QD   ARG  20           QD       ARG  20 -14.416  -6.037   2.776
  204    QH1  ARG  20           QH1      ARG  20 -14.330  -3.564   0.476
  205    QH2  ARG  20           QH2      ARG  20 -14.980  -5.755  -1.658
  206    H    THR  21           H        THR  21 -12.529 -10.052  -0.992
  207    HA   THR  21           HA       THR  21 -13.871 -12.486  -0.537
  208    HB   THR  21           HB       THR  21 -13.502 -12.971  -2.825
  209    HG1  THR  21           HG1      THR  21 -11.710 -12.132  -3.932
  210   1HG2  THR  21          1HG2      THR  21 -14.195 -10.400  -2.027
  211   2HG2  THR  21          2HG2      THR  21 -12.987 -10.135  -3.285
  212   3HG2  THR  21          3HG2      THR  21 -14.432 -11.083  -3.637
  213    MG   THR  21           MG       THR  21 -13.871 -10.540  -2.983
  214    H    TYR  22           H        TYR  22 -13.192 -14.431   0.239
  215    HA   TYR  22           HA       TYR  22 -10.266 -14.822   0.621
  216   1HB   TYR  22          1HB       TYR  22 -12.666 -16.226   1.833
  217   2HB   TYR  22          2HB       TYR  22 -10.991 -16.672   2.158
  218    HD1  TYR  22           HD1      TYR  22  -9.554 -14.212   2.424
  219    HD2  TYR  22           HD2      TYR  22 -13.560 -15.113   3.681
  220    HE1  TYR  22           HE1      TYR  22  -9.415 -12.432   4.142
  221    HE2  TYR  22           HE2      TYR  22 -13.420 -13.333   5.401
  222    HH   TYR  22           HH       TYR  22 -10.630 -12.012   6.454
  223    QB   TYR  22           QB       TYR  22 -11.829 -16.449   1.995
  224    QD   TYR  22           QD       TYR  22 -11.557 -14.663   3.052
  225    QE   TYR  22           QE       TYR  22 -11.417 -12.882   4.772
  226    QR   TYR  22           QR       TYR  22 -11.487 -13.772   3.912
  227    H    ALA  23           H        ALA  23 -13.125 -16.654  -0.560
  228    HA   ALA  23           HA       ALA  23 -11.569 -18.846  -1.537
  229   1HB   ALA  23          2HB       ALA  23 -14.122 -18.094  -2.893
  230   2HB   ALA  23          3HB       ALA  23 -13.554 -19.686  -2.389
  231   3HB   ALA  23          1HB       ALA  23 -14.188 -18.557  -1.192
  232    MB   ALA  23           MB       ALA  23 -13.955 -18.779  -2.158
  233    H    ASP  24           H        ASP  24 -12.362 -15.752  -2.803
  234    HA   ASP  24           HA       ASP  24 -11.531 -16.370  -5.542
  235   1HB   ASP  24          1HB       ASP  24 -12.697 -14.085  -4.108
  236   2HB   ASP  24          2HB       ASP  24 -11.509 -13.616  -5.325
  237    QB   ASP  24           QB       ASP  24 -12.103 -13.850  -4.717
  238    H    VAL  25           H        VAL  25 -10.267 -13.969  -3.193
  239    HA   VAL  25           HA       VAL  25  -7.816 -13.451  -4.377
  240    HB   VAL  25           HB       VAL  25  -8.621 -12.391  -2.269
  241   1HG1  VAL  25          1HG1      VAL  25  -9.330 -14.570  -1.218
  242   2HG1  VAL  25          2HG1      VAL  25  -7.625 -14.928  -0.942
  243   3HG1  VAL  25          3HG1      VAL  25  -8.374 -13.538  -0.154
  244   1HG2  VAL  25          1HG2      VAL  25  -6.075 -12.720  -3.087
  245   2HG2  VAL  25          2HG2      VAL  25  -6.481 -11.855  -1.604
  246   3HG2  VAL  25          3HG2      VAL  25  -5.972 -13.542  -1.529
  247    MG1  VAL  25           MG1      VAL  25  -8.443 -14.345  -0.772
  248    MG2  VAL  25           MG2      VAL  25  -6.176 -12.706  -2.074
  249    QG   VAL  25           QG       VAL  25  -7.309 -13.526  -1.423
  250    H    ARG  26           H        ARG  26  -8.565 -16.167  -2.188
  251    HA   ARG  26           HA       ARG  26  -5.929 -17.324  -2.341
  252   1HB   ARG  26          1HB       ARG  26  -8.083 -17.758  -0.753
  253   2HB   ARG  26          2HB       ARG  26  -8.241 -19.121  -1.862
  254   1HG   ARG  26          2HG       ARG  26  -5.526 -19.081  -1.290
  255   2HG   ARG  26          1HG       ARG  26  -6.713 -20.166  -0.564
  256   1HD   ARG  26          1HD       ARG  26  -5.293 -18.863   1.091
  257   2HD   ARG  26          2HD       ARG  26  -6.107 -17.404   0.523
  258    HE   ARG  26           HE       ARG  26  -7.970 -19.495   1.332
  259   1HH1  ARG  26          1HH1      ARG  26  -8.663 -16.676   1.701
  260   2HH1  ARG  26          2HH1      ARG  26  -8.399 -16.415   3.393
  261   1HH2  ARG  26          1HH2      ARG  26  -6.463 -19.262   3.799
  262   2HH2  ARG  26          2HH2      ARG  26  -7.154 -17.880   4.582
  263    QB   ARG  26           QB       ARG  26  -8.162 -18.440  -1.307
  264    QG   ARG  26           QG       ARG  26  -6.120 -19.624  -0.927
  265    QD   ARG  26           QD       ARG  26  -5.700 -18.133   0.807
  266    QH1  ARG  26           QH1      ARG  26  -8.531 -16.546   2.547
  267    QH2  ARG  26           QH2      ARG  26  -6.808 -18.571   4.190
  268    H    ASP  27           H        ASP  27  -8.893 -17.748  -4.244
  269    HA   ASP  27           HA       ASP  27  -8.046 -20.073  -5.679
  270   1HB   ASP  27          1HB       ASP  27 -10.093 -17.942  -6.067
  271   2HB   ASP  27          2HB       ASP  27  -9.645 -18.889  -7.486
  272    QB   ASP  27           QB       ASP  27  -9.869 -18.415  -6.776
  273    H    GLU  28           H        GLU  28  -7.069 -16.761  -5.899
  274    HA   GLU  28           HA       GLU  28  -6.196 -16.782  -8.638
  275   1HB   GLU  28          1HB       GLU  28  -5.230 -15.179  -6.250
  276   2HB   GLU  28          2HB       GLU  28  -4.720 -14.879  -7.911
  277   1HG   GLU  28          1HG       GLU  28  -7.329 -14.838  -8.362
  278   2HG   GLU  28          2HG       GLU  28  -7.399 -14.444  -6.644
  279    QB   GLU  28           QB       GLU  28  -4.975 -15.029  -7.080
  280    QG   GLU  28           QG       GLU  28  -7.364 -14.641  -7.503
  281    H    ILE  29           H        ILE  29  -4.693 -17.785  -5.592
  282    HA   ILE  29           HA       ILE  29  -2.087 -18.201  -6.721
  283    HB   ILE  29           HB       ILE  29  -2.777 -18.063  -4.229
  284   1HG1  ILE  29          2HG1      ILE  29  -0.624 -19.456  -5.606
  285   2HG1  ILE  29          1HG1      ILE  29  -0.921 -20.149  -4.012
  286   1HG2  ILE  29          1HG2      ILE  29  -4.264 -20.247  -4.791
  287   2HG2  ILE  29          2HG2      ILE  29  -2.778 -21.036  -4.264
  288   3HG2  ILE  29          3HG2      ILE  29  -3.616 -19.922  -3.183
  289   1HD1  ILE  29          1HD1      ILE  29  -1.073 -17.332  -3.715
  290   2HD1  ILE  29          2HD1      ILE  29   0.180 -18.409  -3.098
  291   3HD1  ILE  29          3HD1      ILE  29   0.364 -17.659  -4.684
  292    MG   ILE  29           MG       ILE  29  -3.553 -20.402  -4.079
  293    MD   ILE  29           MD       ILE  29  -0.176 -17.800  -3.832
  294    QG   ILE  29           QG       ILE  29  -0.772 -19.803  -4.809
  295    H    ASN  30           H        ASN  30  -4.720 -19.680  -7.755
  296    HA   ASN  30           HA       ASN  30  -3.613 -22.401  -7.919
  297   1HB   ASN  30          1HB       ASN  30  -6.240 -21.312  -7.913
  298   2HB   ASN  30          2HB       ASN  30  -5.988 -22.045  -9.497
  299   2HD2  ASN  30          1HD2      ASN  30  -5.024 -22.915  -6.117
  300   1HD2  ASN  30          2HD2      ASN  30  -5.541 -24.528  -6.235
  301    QB   ASN  30           QB       ASN  30  -6.114 -21.678  -8.705
  302    QD   ASN  30           QD       ASN  30  -5.283 -23.721  -6.176
  303    H    LYS  31           H        LYS  31  -5.003 -20.070 -10.266
  304    HA   LYS  31           HA       LYS  31  -2.874 -20.953 -12.168
  305   1HB   LYS  31          1HB       LYS  31  -5.805 -20.400 -12.630
  306   2HB   LYS  31          2HB       LYS  31  -4.638 -20.324 -13.950
  307   1HG   LYS  31          1HG       LYS  31  -3.882 -22.673 -13.021
  308   2HG   LYS  31          2HG       LYS  31  -5.502 -22.692 -12.324
  309   1HD   LYS  31          1HD       LYS  31  -6.042 -21.846 -14.861
  310   2HD   LYS  31          2HD       LYS  31  -4.665 -22.909 -15.150
  311   1HE   LYS  31          1HE       LYS  31  -6.497 -24.380 -15.258
  312   2HE   LYS  31          2HE       LYS  31  -5.925 -24.581 -13.602
  313   1HZ   LYS  31          1HZ       LYS  31  -7.741 -22.419 -13.761
  314   2HZ   LYS  31          2HZ       LYS  31  -8.450 -23.816 -14.420
  315   3HZ   LYS  31          3HZ       LYS  31  -7.846 -23.835 -12.832
  316    QB   LYS  31           QB       LYS  31  -5.221 -20.362 -13.290
  317    QD   LYS  31           QD       LYS  31  -5.353 -22.377 -15.006
  318    QG   LYS  31           QG       LYS  31  -4.692 -22.682 -12.672
  319    QE   LYS  31           QE       LYS  31  -6.211 -24.481 -14.430
  320    QZ   LYS  31           QZ       LYS  31  -8.012 -23.357 -13.671
  321    H    ARG  32           H        ARG  32  -2.673 -18.694 -10.356
  322    HA   ARG  32           HA       ARG  32  -3.326 -16.233 -11.708
  323   1HB   ARG  32          1HB       ARG  32  -1.536 -15.305 -10.102
  324   2HB   ARG  32          2HB       ARG  32  -2.953 -16.052  -9.367
  325   1HG   ARG  32          1HG       ARG  32  -1.776 -17.994  -8.768
  326   2HG   ARG  32          2HG       ARG  32  -0.516 -17.713  -9.966
  327   1HD   ARG  32          1HD       ARG  32  -0.796 -15.583  -7.936
  328   2HD   ARG  32          2HD       ARG  32  -0.243 -17.137  -7.312
  329    HE   ARG  32           HE       ARG  32   1.210 -15.431  -9.245
  330   1HH1  ARG  32          1HH1      ARG  32   0.984 -18.652  -9.342
  331   2HH1  ARG  32          2HH1      ARG  32   2.578 -19.019  -8.774
  332   1HH2  ARG  32          1HH2      ARG  32   3.238 -15.784  -7.720
  333   2HH2  ARG  32          2HH2      ARG  32   3.853 -17.397  -7.856
  334    QB   ARG  32           QB       ARG  32  -2.245 -15.679  -9.735
  335    QG   ARG  32           QG       ARG  32  -1.146 -17.853  -9.367
  336    QD   ARG  32           QD       ARG  32  -0.520 -16.360  -7.624
  337    QH1  ARG  32           QH1      ARG  32   1.781 -18.836  -9.058
  338    QH2  ARG  32           QH2      ARG  32   3.545 -16.591  -7.788
  339    H    GLY  33           H        GLY  33  -2.480 -16.806 -13.864
  340   1HA   GLY  33          1HA       GLY  33   0.475 -16.864 -14.099
  341   2HA   GLY  33          2HA       GLY  33  -0.662 -17.205 -15.404
  342    QA   GLY  33           QA       GLY  33  -0.093 -17.035 -14.752
  343    H    ARG  34           H        ARG  34  -2.270 -14.770 -14.609
  344    HA   ARG  34           HA       ARG  34  -0.385 -12.683 -15.627
  345   1HB   ARG  34          2HB       ARG  34  -2.011 -13.575 -17.371
  346   2HB   ARG  34          1HB       ARG  34  -2.079 -11.833 -17.098
  347   1HG   ARG  34          1HG       ARG  34  -3.871 -13.721 -15.572
  348   2HG   ARG  34          2HG       ARG  34  -4.079 -11.992 -15.852
  349   1HD   ARG  34          1HD       ARG  34  -4.285 -14.187 -17.933
  350   2HD   ARG  34          2HD       ARG  34  -5.613 -13.216 -17.298
  351    HE   ARG  34           HE       ARG  34  -4.592 -11.254 -18.427
  352   1HH1  ARG  34          1HH1      ARG  34  -4.455 -14.312 -19.800
  353   2HH1  ARG  34          2HH1      ARG  34  -3.334 -13.895 -21.053
  354   1HH2  ARG  34          1HH2      ARG  34  -2.690 -10.732 -19.785
  355   2HH2  ARG  34          2HH2      ARG  34  -2.334 -11.868 -21.044
  356    QB   ARG  34           QB       ARG  34  -2.045 -12.704 -17.235
  357    QG   ARG  34           QG       ARG  34  -3.975 -12.857 -15.712
  358    QD   ARG  34           QD       ARG  34  -4.949 -13.702 -17.616
  359    QH1  ARG  34           QH1      ARG  34  -3.895 -14.103 -20.426
  360    QH2  ARG  34           QH2      ARG  34  -2.512 -11.300 -20.414

  No H/Q in entry =         360
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1 -11.136  17.519   5.736
    2    H2   MET   1           H2       MET   1 -11.193  18.020   7.358
    3    H3   MET   1           H3       MET   1 -10.280  16.660   6.925
    4    HA   MET   1           HA       MET   1 -12.039  15.437   7.484
    5   1HB   MET   1          1HB       MET   1 -12.935  17.445   8.683
    6   2HB   MET   1          2HB       MET   1 -13.741  17.930   7.192
    7   1HG   MET   1          1HG       MET   1 -14.369  15.185   7.669
    8   2HG   MET   1          2HG       MET   1 -14.655  16.073   9.165
    9   1HE   MET   1          1HE       MET   1 -16.593  16.082   9.611
   10   2HE   MET   1          2HE       MET   1 -17.794  17.230   9.024
   11   3HE   MET   1          3HE       MET   1 -17.809  15.558   8.447
   12    QB   MET   1           QB       MET   1 -13.338  17.688   7.937
   13    QG   MET   1           QG       MET   1 -14.512  15.629   8.417
   14    ME   MET   1           ME       MET   1 -17.399  16.290   9.027
   15    H    SER   2           H        SER   2 -11.711  14.395   5.392
   16    HA   SER   2           HA       SER   2 -13.678  15.260   3.318
   17   1HB   SER   2          1HB       SER   2 -11.949  13.367   2.180
   18   2HB   SER   2          2HB       SER   2 -11.924  15.109   1.925
   19    HG   SER   2           HG       SER   2 -10.421  15.320   3.508
   20    QB   SER   2           QB       SER   2 -11.936  14.238   2.053
   21    H    TRP   3           H        TRP   3 -14.155  13.534   5.727
   22    HA   TRP   3           HA       TRP   3 -15.073  11.424   6.268
   23   1HB   TRP   3          1HB       TRP   3 -16.822  10.943   4.190
   24   2HB   TRP   3          2HB       TRP   3 -17.152  11.988   5.569
   25    HD1  TRP   3           HD1      TRP   3 -16.395  14.636   5.221
   26    HE1  TRP   3           HE1      TRP   3 -16.611  16.099   3.112
   27    HE3  TRP   3           HE3      TRP   3 -16.887  10.997   1.661
   28    HZ2  TRP   3           HZ2      TRP   3 -16.945  15.774   0.294
   29    HZ3  TRP   3           HZ3      TRP   3 -17.151  11.606  -0.723
   30    HH2  TRP   3           HH2      TRP   3 -17.182  13.986  -1.413
   31    QB   TRP   3           QB       TRP   3 -16.987  11.466   4.880
   32    H    ALA   4           H        ALA   4 -15.522  10.783   2.857
   33    HA   ALA   4           HA       ALA   4 -14.618   8.149   2.910
   34   1HB   ALA   4          3HB       ALA   4 -15.623   8.591   0.892
   35   2HB   ALA   4          1HB       ALA   4 -14.921  10.206   0.780
   36   3HB   ALA   4          2HB       ALA   4 -13.946   8.790   0.381
   37    MB   ALA   4           MB       ALA   4 -14.830   9.196   0.684
   38    H    LEU   5           H        LEU   5 -12.678  10.575   1.212
   39    HA   LEU   5           HA       LEU   5 -10.259   9.247   1.184
   40   1HB   LEU   5          1HB       LEU   5 -11.073  11.722   0.443
   41   2HB   LEU   5          2HB       LEU   5 -10.079  12.139   1.838
   42    HG   LEU   5           HG       LEU   5  -8.806  10.138   0.131
   43   1HD1  LEU   5          1HD1      LEU   5 -10.257  12.048  -1.277
   44   2HD1  LEU   5          2HD1      LEU   5  -8.637  12.743  -1.197
   45   3HD1  LEU   5          3HD1      LEU   5  -8.878  11.143  -1.900
   46   1HD2  LEU   5          1HD2      LEU   5  -8.174  12.755   1.459
   47   2HD2  LEU   5          2HD2      LEU   5  -7.390  11.187   1.657
   48   3HD2  LEU   5          3HD2      LEU   5  -7.084  12.151   0.211
   49    MD1  LEU   5           MD1      LEU   5  -9.257  11.978  -1.458
   50    MD2  LEU   5           MD2      LEU   5  -7.549  12.031   1.109
   51    QB   LEU   5           QB       LEU   5 -10.576  11.930   1.140
   52    QD   LEU   5           QD       LEU   5  -8.403  12.004  -0.174
   53    H    GLU   6           H        GLU   6 -11.639  11.031   3.922
   54    HA   GLU   6           HA       GLU   6  -9.334  11.201   5.551
   55   1HB   GLU   6          1HB       GLU   6 -11.319  12.382   6.193
   56   2HB   GLU   6          2HB       GLU   6 -12.251  10.888   6.292
   57   1HG   GLU   6          1HG       GLU   6 -10.601  10.142   8.100
   58   2HG   GLU   6          2HG       GLU   6 -10.014  11.805   8.115
   59    QB   GLU   6           QB       GLU   6 -11.785  11.635   6.243
   60    QG   GLU   6           QG       GLU   6 -10.308  10.974   8.107
   61    H    MET   7           H        MET   7 -11.825   8.608   5.633
   62    HA   MET   7           HA       MET   7 -10.106   7.010   7.395
   63   1HB   MET   7          1HB       MET   7 -12.458   6.877   7.811
   64   2HB   MET   7          2HB       MET   7 -12.807   6.535   6.118
   65   1HG   MET   7          1HG       MET   7 -11.160   4.463   6.630
   66   2HG   MET   7          2HG       MET   7 -11.793   4.723   8.253
   67   1HE   MET   7          1HE       MET   7 -12.450   2.368   8.062
   68   2HE   MET   7          2HE       MET   7 -13.744   3.173   8.948
   69   3HE   MET   7          3HE       MET   7 -14.128   1.957   7.721
   70    QB   MET   7           QB       MET   7 -12.633   6.706   6.964
   71    QG   MET   7           QG       MET   7 -11.476   4.593   7.441
   72    ME   MET   7           ME       MET   7 -13.441   2.499   8.244
   73    H    ALA   8           H        ALA   8 -11.466   6.531   4.117
   74    HA   ALA   8           HA       ALA   8 -10.130   4.115   3.535
   75   1HB   ALA   8          3HB       ALA   8 -11.268   4.393   1.610
   76   2HB   ALA   8          2HB       ALA   8 -10.230   5.750   1.172
   77   3HB   ALA   8          1HB       ALA   8 -11.691   6.027   2.119
   78    MB   ALA   8           MB       ALA   8 -11.063   5.390   1.633
   79    H    ASP   9           H        ASP   9  -8.918   7.433   3.374
   80    HA   ASP   9           HA       ASP   9  -6.699   7.092   1.737
   81   1HB   ASP   9          1HB       ASP   9  -7.106   9.268   2.590
   82   2HB   ASP   9          2HB       ASP   9  -7.043   8.712   4.262
   83    QB   ASP   9           QB       ASP   9  -7.074   8.990   3.426
   84    H    THR  10           H        THR  10  -6.965   6.258   5.184
   85    HA   THR  10           HA       THR  10  -4.244   5.336   5.503
   86    HB   THR  10           HB       THR  10  -5.917   4.119   7.459
   87    HG1  THR  10           HG1      THR  10  -6.928   6.157   8.124
   88   1HG2  THR  10          1HG2      THR  10  -3.587   5.504   7.385
   89   2HG2  THR  10          2HG2      THR  10  -4.669   6.751   8.008
   90   3HG2  THR  10          3HG2      THR  10  -4.498   5.221   8.869
   91    MG   THR  10           MG       THR  10  -4.251   5.825   8.087
   92    H    PHE  11           H        PHE  11  -5.355   3.974   3.269
   93    HA   PHE  11           HA       PHE  11  -4.422   1.380   3.474
   94   1HB   PHE  11          1HB       PHE  11  -6.659   1.376   5.040
   95   2HB   PHE  11          2HB       PHE  11  -7.394   1.081   3.462
   96    HD1  PHE  11           HD1      PHE  11  -4.488  -0.049   5.547
   97    HD2  PHE  11           HD2      PHE  11  -7.449  -1.115   2.619
   98    HE1  PHE  11           HE1      PHE  11  -3.709  -2.401   5.615
   99    HE2  PHE  11           HE2      PHE  11  -6.669  -3.469   2.693
  100    HZ   PHE  11           HZ       PHE  11  -4.798  -4.112   4.190
  101    QB   PHE  11           QB       PHE  11  -7.027   1.228   4.251
  102    QD   PHE  11           QD       PHE  11  -5.969  -0.582   4.083
  103    QE   PHE  11           QE       PHE  11  -5.189  -2.935   4.154
  104    QR   PHE  11           QR       PHE  11  -5.423  -2.229   4.133
  105    H    LEU  12           H        LEU  12  -7.384   2.841   2.483
  106    HA   LEU  12           HA       LEU  12  -7.450   1.897  -0.202
  107   1HB   LEU  12          1HB       LEU  12  -9.072   3.435   1.597
  108   2HB   LEU  12          2HB       LEU  12  -8.958   4.299   0.067
  109    HG   LEU  12           HG       LEU  12 -10.852   2.816  -0.062
  110   1HD1  LEU  12          1HD1      LEU  12  -8.851   2.852  -1.890
  111   2HD1  LEU  12          2HD1      LEU  12  -8.925   1.126  -1.538
  112   3HD1  LEU  12          3HD1      LEU  12 -10.360   1.969  -2.120
  113   1HD2  LEU  12          1HD2      LEU  12  -9.529   1.269   1.748
  114   2HD2  LEU  12          2HD2      LEU  12 -10.914   0.705   0.813
  115   3HD2  LEU  12          3HD2      LEU  12  -9.276   0.328   0.278
  116    MD1  LEU  12           MD1      LEU  12  -9.378   1.982  -1.849
  117    MD2  LEU  12           MD2      LEU  12  -9.906   0.767   0.947
  118    QB   LEU  12           QB       LEU  12  -9.015   3.867   0.832
  119    QD   LEU  12           QD       LEU  12  -9.642   1.375  -0.451
  120    H    ASP  13           H        ASP  13  -5.317   4.128   1.130
  121    HA   ASP  13           HA       ASP  13  -5.280   6.429  -0.350
  122   1HB   ASP  13          1HB       ASP  13  -3.529   5.823   1.279
  123   2HB   ASP  13          2HB       ASP  13  -2.864   4.661   0.132
  124    QB   ASP  13           QB       ASP  13  -3.196   5.242   0.705
  125    H    ASN  14           H        ASN  14  -3.549   3.507  -1.576
  126    HA   ASN  14           HA       ASN  14  -4.135   4.549  -4.324
  127   1HB   ASN  14          2HB       ASN  14  -2.093   3.464  -5.077
  128   2HB   ASN  14          1HB       ASN  14  -1.838   2.755  -3.482
  129   2HD2  ASN  14          1HD2      ASN  14  -2.660   6.091  -4.621
  130   1HD2  ASN  14          2HD2      ASN  14  -1.421   6.850  -3.744
  131    QB   ASN  14           QB       ASN  14  -1.966   3.109  -4.280
  132    QD   ASN  14           QD       ASN  14  -2.041   6.470  -4.183
  133    H    MET  15           H        MET  15  -5.967   2.980  -2.877
  134    HA   MET  15           HA       MET  15  -5.937   0.451  -4.495
  135   1HB   MET  15          1HB       MET  15  -5.346   0.271  -1.959
  136   2HB   MET  15          2HB       MET  15  -7.065   0.568  -1.705
  137   1HG   MET  15          2HG       MET  15  -7.357  -1.336  -3.502
  138   2HG   MET  15          1HG       MET  15  -7.022  -1.754  -1.821
  139   1HE   MET  15          1HE       MET  15  -6.621  -3.965  -3.121
  140   2HE   MET  15          2HE       MET  15  -4.939  -4.500  -3.256
  141   3HE   MET  15          3HE       MET  15  -5.563  -3.921  -1.714
  142    QB   MET  15           QB       MET  15  -6.206   0.420  -1.832
  143    QG   MET  15           QG       MET  15  -7.189  -1.545  -2.662
  144    ME   MET  15           ME       MET  15  -5.708  -4.129  -2.697
  145    H    ARG  16           H        ARG  16  -7.304   2.856  -5.206
  146    HA   ARG  16           HA       ARG  16  -9.873   3.278  -4.374
  147   1HB   ARG  16          1HB       ARG  16  -8.461   3.661  -6.848
  148   2HB   ARG  16          2HB       ARG  16 -10.137   3.208  -7.168
  149   1HG   ARG  16          1HG       ARG  16 -10.831   4.956  -5.463
  150   2HG   ARG  16          2HG       ARG  16  -9.153   5.499  -5.446
  151   1HD   ARG  16          2HD       ARG  16  -9.422   5.639  -8.035
  152   2HD   ARG  16          1HD       ARG  16 -10.137   6.910  -7.043
  153    HE   ARG  16           HE       ARG  16 -12.320   5.652  -7.289
  154   1HH1  ARG  16          1HH1      ARG  16 -10.059   6.129  -9.738
  155   2HH1  ARG  16          2HH1      ARG  16 -10.862   5.139 -10.911
  156   1HH2  ARG  16          1HH2      ARG  16 -13.218   3.937  -8.662
  157   2HH2  ARG  16          2HH2      ARG  16 -12.656   3.895 -10.299
  158    QB   ARG  16           QB       ARG  16  -9.299   3.435  -7.008
  159    QG   ARG  16           QG       ARG  16  -9.992   5.228  -5.454
  160    QD   ARG  16           QD       ARG  16  -9.780   6.275  -7.539
  161    QH1  ARG  16           QH1      ARG  16 -10.461   5.634 -10.324
  162    QH2  ARG  16           QH2      ARG  16 -12.937   3.916  -9.481
  163    H    VAL  17           H        VAL  17  -9.286   0.945  -7.005
  164    HA   VAL  17           HA       VAL  17 -11.664  -0.542  -5.953
  165    HB   VAL  17           HB       VAL  17 -11.834  -1.473  -8.317
  166   1HG1  VAL  17          1HG1      VAL  17 -13.088   0.571  -7.228
  167   2HG1  VAL  17          2HG1      VAL  17 -12.136   1.511  -8.376
  168   3HG1  VAL  17          3HG1      VAL  17 -13.241   0.267  -8.960
  169   1HG2  VAL  17          1HG2      VAL  17  -9.912   0.817  -8.839
  170   2HG2  VAL  17          2HG2      VAL  17  -9.562  -0.898  -9.055
  171   3HG2  VAL  17          3HG2      VAL  17 -10.756  -0.106 -10.084
  172    MG1  VAL  17           MG1      VAL  17 -12.821   0.783  -8.188
  173    MG2  VAL  17           MG2      VAL  17 -10.076  -0.062  -9.326
  174    QG   VAL  17           QG       VAL  17 -11.449   0.360  -8.757
  175    H    GLY  18           H        GLY  18  -9.330  -1.182  -4.711
  176   1HA   GLY  18          1HA       GLY  18  -8.378  -3.638  -6.117
  177   2HA   GLY  18          2HA       GLY  18  -7.463  -2.789  -4.874
  178    QA   GLY  18           QA       GLY  18  -7.920  -3.213  -5.495
  179   1HB   PRO  19          1HB       PRO  19 -10.005  -8.336  -3.856
  180   2HB   PRO  19          2HB       PRO  19 -11.256  -7.336  -4.613
  181   1HG   PRO  19          2HG       PRO  19  -9.955  -7.523  -6.511
  182   2HG   PRO  19          1HG       PRO  19  -8.509  -7.961  -5.586
  183   1HD   PRO  19          1HD       PRO  19  -7.799  -5.795  -5.872
  184   2HD   PRO  19          2HD       PRO  19  -9.379  -5.303  -6.519
  185    QB   PRO  19           QB       PRO  19 -10.630  -7.836  -4.234
  186    QG   PRO  19           QG       PRO  19  -9.232  -7.742  -6.048
  187    QD   PRO  19           QD       PRO  19  -8.589  -5.549  -6.195
  188    H    ARG  20           H        ARG  20  -9.940  -7.948  -1.578
  189    HA   ARG  20           HA       ARG  20  -7.051  -7.637  -0.888
  190   1HB   ARG  20          1HB       ARG  20  -8.576  -6.341   0.686
  191   2HB   ARG  20          2HB       ARG  20  -9.242  -7.896   1.187
  192   1HG   ARG  20          1HG       ARG  20  -7.520  -7.468   2.756
  193   2HG   ARG  20          2HG       ARG  20  -6.796  -8.598   1.609
  194   1HD   ARG  20          1HD       ARG  20  -5.385  -7.019   0.736
  195   2HD   ARG  20          2HD       ARG  20  -6.549  -5.711   0.949
  196    HE   ARG  20           HE       ARG  20  -5.810  -5.486   3.246
  197   1HH1  ARG  20          1HH1      ARG  20  -5.102  -7.852   4.453
  198   2HH1  ARG  20          2HH1      ARG  20  -3.397  -8.054   4.219
  199   1HH2  ARG  20          1HH2      ARG  20  -3.219  -5.759   1.621
  200   2HH2  ARG  20          2HH2      ARG  20  -2.330  -6.867   2.612
  201    QB   ARG  20           QB       ARG  20  -8.909  -7.119   0.936
  202    QG   ARG  20           QG       ARG  20  -7.158  -8.033   2.183
  203    QD   ARG  20           QD       ARG  20  -5.967  -6.365   0.842
  204    QH1  ARG  20           QH1      ARG  20  -4.250  -7.953   4.336
  205    QH2  ARG  20           QH2      ARG  20  -2.774  -6.313   2.117
  206    H    THR  21           H        THR  21  -9.825  -9.534   0.328
  207    HA   THR  21           HA       THR  21  -8.488 -12.011  -0.591
  208    HB   THR  21           HB       THR  21  -9.148 -12.863   1.863
  209    HG1  THR  21           HG1      THR  21  -9.616 -11.225   3.070
  210   1HG2  THR  21          1HG2      THR  21  -6.904 -12.940   0.763
  211   2HG2  THR  21          2HG2      THR  21  -6.623 -11.284   1.301
  212   3HG2  THR  21          3HG2      THR  21  -6.810 -12.576   2.487
  213    MG   THR  21           MG       THR  21  -6.779 -12.267   1.517
  214    H    TYR  22           H        TYR  22  -9.981 -13.881  -0.464
  215    HA   TYR  22           HA       TYR  22 -12.846 -12.997  -0.499
  216   1HB   TYR  22          2HB       TYR  22 -13.250 -14.551  -2.279
  217   2HB   TYR  22          1HB       TYR  22 -11.669 -15.302  -2.069
  218    HD1  TYR  22           HD1      TYR  22  -9.586 -13.804  -2.431
  219    HD2  TYR  22           HD2      TYR  22 -13.527 -12.771  -3.793
  220    HE1  TYR  22           HE1      TYR  22  -8.605 -12.203  -4.052
  221    HE2  TYR  22           HE2      TYR  22 -12.545 -11.170  -5.413
  222    HH   TYR  22           HH       TYR  22  -9.018 -10.848  -5.774
  223    QB   TYR  22           QB       TYR  22 -12.460 -14.926  -2.174
  224    QD   TYR  22           QD       TYR  22 -11.556 -13.288  -3.112
  225    QE   TYR  22           QE       TYR  22 -10.575 -11.687  -4.733
  226    QR   TYR  22           QR       TYR  22 -11.066 -12.487  -3.922
  227    H    ALA  23           H        ALA  23 -10.954 -16.042  -0.234
  228    HA   ALA  23           HA       ALA  23 -12.817 -17.634   1.003
  229   1HB   ALA  23          2HB       ALA  23 -10.269 -17.837   2.407
  230   2HB   ALA  23          1HB       ALA  23 -10.067 -17.752   0.657
  231   3HB   ALA  23          3HB       ALA  23 -11.069 -19.017   1.368
  232    MB   ALA  23           MB       ALA  23 -10.468 -18.202   1.477
  233    H    ASP  24           H        ASP  24 -11.194 -14.912   2.352
  234    HA   ASP  24           HA       ASP  24 -11.830 -15.396   5.124
  235   1HB   ASP  24          1HB       ASP  24 -11.155 -12.847   3.632
  236   2HB   ASP  24          2HB       ASP  24 -11.323 -12.946   5.386
  237    QB   ASP  24           QB       ASP  24 -11.239 -12.897   4.509
  238    H    VAL  25           H        VAL  25 -13.049 -12.555   3.378
  239    HA   VAL  25           HA       VAL  25 -15.327 -12.121   4.885
  240    HB   VAL  25           HB       VAL  25 -14.999 -11.799   1.886
  241   1HG1  VAL  25          1HG1      VAL  25 -17.146 -10.802   3.778
  242   2HG1  VAL  25          2HG1      VAL  25 -16.887 -10.139   2.164
  243   3HG1  VAL  25          3HG1      VAL  25 -17.368 -11.825   2.358
  244   1HG2  VAL  25          1HG2      VAL  25 -14.749  -9.882   4.227
  245   2HG2  VAL  25          2HG2      VAL  25 -13.425 -10.484   3.229
  246   3HG2  VAL  25          3HG2      VAL  25 -14.642  -9.416   2.530
  247    MG1  VAL  25           MG1      VAL  25 -17.134 -10.922   2.767
  248    MG2  VAL  25           MG2      VAL  25 -14.272  -9.927   3.328
  249    QG   VAL  25           QG       VAL  25 -15.703 -10.425   3.048
  250    H    ARG  26           H        ARG  26 -15.167 -14.188   1.971
  251    HA   ARG  26           HA       ARG  26 -17.808 -15.105   1.918
  252   1HB   ARG  26          1HB       ARG  26 -15.179 -16.266   1.120
  253   2HB   ARG  26          2HB       ARG  26 -16.559 -17.364   1.194
  254   1HG   ARG  26          1HG       ARG  26 -16.932 -14.728  -0.169
  255   2HG   ARG  26          2HG       ARG  26 -16.030 -15.983  -1.017
  256   1HD   ARG  26          1HD       ARG  26 -18.228 -17.336   0.037
  257   2HD   ARG  26          2HD       ARG  26 -18.895 -15.797  -0.509
  258    HE   ARG  26           HE       ARG  26 -17.800 -17.900  -2.224
  259   1HH1  ARG  26          1HH1      ARG  26 -16.625 -14.980  -2.556
  260   2HH1  ARG  26          2HH1      ARG  26 -17.563 -14.461  -3.918
  261   1HH2  ARG  26          1HH2      ARG  26 -19.834 -17.069  -3.682
  262   2HH2  ARG  26          2HH2      ARG  26 -19.380 -15.644  -4.554
  263    QB   ARG  26           QB       ARG  26 -15.869 -16.815   1.157
  264    QG   ARG  26           QG       ARG  26 -16.481 -15.355  -0.593
  265    QD   ARG  26           QD       ARG  26 -18.561 -16.566  -0.236
  266    QH1  ARG  26           QH1      ARG  26 -17.094 -14.720  -3.237
  267    QH2  ARG  26           QH2      ARG  26 -19.607 -16.357  -4.118
  268    H    ASP  27           H        ASP  27 -15.116 -16.365   3.889
  269    HA   ASP  27           HA       ASP  27 -16.610 -18.491   5.100
  270   1HB   ASP  27          1HB       ASP  27 -14.096 -18.255   5.143
  271   2HB   ASP  27          2HB       ASP  27 -14.296 -16.959   6.323
  272    QB   ASP  27           QB       ASP  27 -14.196 -17.607   5.733
  273    H    GLU  28           H        GLU  28 -16.223 -15.070   5.925
  274    HA   GLU  28           HA       GLU  28 -17.334 -15.150   8.525
  275   1HB   GLU  28          1HB       GLU  28 -16.843 -13.122   6.491
  276   2HB   GLU  28          2HB       GLU  28 -18.349 -12.809   7.353
  277   1HG   GLU  28          2HG       GLU  28 -16.526 -13.577   9.345
  278   2HG   GLU  28          1HG       GLU  28 -17.109 -11.943   9.027
  279    QB   GLU  28           QB       GLU  28 -17.596 -12.966   6.922
  280    QG   GLU  28           QG       GLU  28 -16.818 -12.760   9.186
  281    H    ILE  29           H        ILE  29 -18.891 -15.187   5.346
  282    HA   ILE  29           HA       ILE  29 -21.564 -15.086   6.552
  283    HB   ILE  29           HB       ILE  29 -20.713 -14.308   4.137
  284   1HG1  ILE  29          2HG1      ILE  29 -23.134 -14.602   3.365
  285   2HG1  ILE  29          1HG1      ILE  29 -22.906 -13.760   4.897
  286   1HG2  ILE  29          1HG2      ILE  29 -20.251 -16.853   3.681
  287   2HG2  ILE  29          2HG2      ILE  29 -21.989 -16.919   3.385
  288   3HG2  ILE  29          3HG2      ILE  29 -20.969 -15.857   2.415
  289   1HD1  ILE  29          1HD1      ILE  29 -23.270 -15.958   6.070
  290   2HD1  ILE  29          2HD1      ILE  29 -24.682 -15.381   5.187
  291   3HD1  ILE  29          3HD1      ILE  29 -23.681 -16.665   4.508
  292    MG   ILE  29           MG       ILE  29 -21.070 -16.543   3.161
  293    MD   ILE  29           MD       ILE  29 -23.878 -16.002   5.255
  294    QG   ILE  29           QG       ILE  29 -23.020 -14.181   4.131
  295    H    ASN  30           H        ASN  30 -19.774 -17.226   7.347
  296    HA   ASN  30           HA       ASN  30 -21.497 -19.542   6.666
  297   1HB   ASN  30          1HB       ASN  30 -19.257 -19.670   5.512
  298   2HB   ASN  30          2HB       ASN  30 -18.499 -19.672   7.104
  299   2HD2  ASN  30          1HD2      ASN  30 -18.165 -21.902   5.393
  300   1HD2  ASN  30          2HD2      ASN  30 -19.007 -23.228   6.037
  301    QB   ASN  30           QB       ASN  30 -18.878 -19.671   6.308
  302    QD   ASN  30           QD       ASN  30 -18.586 -22.565   5.715
  303    H    LYS  31           H        LYS  31 -18.795 -18.756   8.890
  304    HA   LYS  31           HA       LYS  31 -20.174 -20.130  11.080
  305   1HB   LYS  31          1HB       LYS  31 -17.535 -19.683  10.525
  306   2HB   LYS  31          2HB       LYS  31 -17.848 -18.414  11.710
  307   1HG   LYS  31          1HG       LYS  31 -18.471 -21.359  12.083
  308   2HG   LYS  31          2HG       LYS  31 -17.116 -20.499  12.816
  309   1HD   LYS  31          1HD       LYS  31 -18.933 -18.888  13.748
  310   2HD   LYS  31          2HD       LYS  31 -20.059 -20.192  13.373
  311   1HE   LYS  31          1HE       LYS  31 -17.553 -20.640  15.003
  312   2HE   LYS  31          2HE       LYS  31 -19.092 -20.193  15.740
  313   1HZ   LYS  31          1HZ       LYS  31 -19.882 -22.175  14.181
  314   2HZ   LYS  31          2HZ       LYS  31 -18.291 -22.689  14.479
  315   3HZ   LYS  31          3HZ       LYS  31 -19.350 -22.419  15.775
  316    QB   LYS  31           QB       LYS  31 -17.692 -19.048  11.117
  317    QD   LYS  31           QD       LYS  31 -19.496 -19.540  13.561
  318    QG   LYS  31           QG       LYS  31 -17.793 -20.929  12.449
  319    QE   LYS  31           QE       LYS  31 -18.323 -20.416  15.372
  320    QZ   LYS  31           QZ       LYS  31 -19.175 -22.428  14.812
  321    H    ARG  32           H        ARG  32 -20.071 -16.917   9.800
  322    HA   ARG  32           HA       ARG  32 -20.919 -15.705  12.365
  323   1HB   ARG  32          1HB       ARG  32 -19.443 -14.730  10.258
  324   2HB   ARG  32          2HB       ARG  32 -21.042 -14.064   9.919
  325   1HG   ARG  32          1HG       ARG  32 -19.741 -13.877  12.645
  326   2HG   ARG  32          2HG       ARG  32 -19.550 -12.631  11.410
  327   1HD   ARG  32          1HD       ARG  32 -21.921 -12.211  11.358
  328   2HD   ARG  32          2HD       ARG  32 -22.245 -13.611  12.380
  329    HE   ARG  32           HE       ARG  32 -21.514 -12.354  14.274
  330   1HH1  ARG  32          1HH1      ARG  32 -19.303 -10.906  14.207
  331   2HH1  ARG  32          2HH1      ARG  32 -19.678  -9.310  13.648
  332   1HH2  ARG  32          1HH2      ARG  32 -22.730 -10.221  12.277
  333   2HH2  ARG  32          2HH2      ARG  32 -21.619  -8.922  12.556
  334    QB   ARG  32           QB       ARG  32 -20.243 -14.397  10.088
  335    QG   ARG  32           QG       ARG  32 -19.646 -13.254  12.027
  336    QD   ARG  32           QD       ARG  32 -22.083 -12.911  11.869
  337    QH1  ARG  32           QH1      ARG  32 -19.490 -10.108  13.928
  338    QH2  ARG  32           QH2      ARG  32 -22.174  -9.572  12.416
  339    H    GLY  33           H        GLY  33 -22.798 -17.500  11.816
  340   1HA   GLY  33          1HA       GLY  33 -25.071 -15.846  10.839
  341   2HA   GLY  33          2HA       GLY  33 -24.850 -17.458  10.161
  342    QA   GLY  33           QA       GLY  33 -24.960 -16.652  10.500
  343    H    ARG  34           H        ARG  34 -24.175 -18.974  12.354
  344    HA   ARG  34           HA       ARG  34 -26.539 -18.603  14.154
  345   1HB   ARG  34          1HB       ARG  34 -26.491 -20.615  12.506
  346   2HB   ARG  34          2HB       ARG  34 -25.268 -21.279  13.591
  347   1HG   ARG  34          1HG       ARG  34 -26.833 -21.061  15.492
  348   2HG   ARG  34          2HG       ARG  34 -28.060 -20.408  14.405
  349   1HD   ARG  34          2HD       ARG  34 -27.890 -22.539  13.066
  350   2HD   ARG  34          1HD       ARG  34 -28.519 -22.763  14.699
  351    HE   ARG  34           HE       ARG  34 -25.721 -23.422  13.874
  352   1HH1  ARG  34          1HH1      ARG  34 -24.843 -23.897  16.150
  353   2HH1  ARG  34          2HH1      ARG  34 -25.758 -25.101  16.996
  354   1HH2  ARG  34          1HH2      ARG  34 -28.479 -24.915  14.853
  355   2HH2  ARG  34          2HH2      ARG  34 -27.817 -25.678  16.261
  356    QB   ARG  34           QB       ARG  34 -25.879 -20.947  13.049
  357    QG   ARG  34           QG       ARG  34 -27.447 -20.734  14.948
  358    QD   ARG  34           QD       ARG  34 -28.205 -22.651  13.883
  359    QH1  ARG  34           QH1      ARG  34 -25.301 -24.499  16.573
  360    QH2  ARG  34           QH2      ARG  34 -28.148 -25.296  15.557

  No H/Q in entry =         360
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1 -10.628  15.518   6.009
    2    H2   MET   1           H2       MET   1  -9.063  16.180   6.037
    3    H3   MET   1           H3       MET   1  -9.321  14.580   6.549
    4    HA   MET   1           HA       MET   1  -9.507  15.331   8.611
    5   1HB   MET   1          1HB       MET   1  -9.489  17.991   7.192
    6   2HB   MET   1          2HB       MET   1  -9.763  17.902   8.932
    7   1HG   MET   1          1HG       MET   1  -7.545  16.206   8.251
    8   2HG   MET   1          2HG       MET   1  -7.276  17.808   7.564
    9   1HE   MET   1          1HE       MET   1  -6.853  19.581   8.350
   10   2HE   MET   1          2HE       MET   1  -7.548  20.271   9.815
   11   3HE   MET   1          3HE       MET   1  -5.872  19.732   9.814
   12    QB   MET   1           QB       MET   1  -9.626  17.946   8.062
   13    QG   MET   1           QG       MET   1  -7.411  17.007   7.908
   14    ME   MET   1           ME       MET   1  -6.758  19.861   9.327
   15    H    SER   2           H        SER   2 -11.774  14.286   7.468
   16    HA   SER   2           HA       SER   2 -13.916  15.988   8.671
   17   1HB   SER   2          1HB       SER   2 -13.671  15.140   5.948
   18   2HB   SER   2          2HB       SER   2 -15.042  14.297   6.665
   19    HG   SER   2           HG       SER   2 -15.830  16.321   7.350
   20    QB   SER   2           QB       SER   2 -14.356  14.719   6.307
   21    H    TRP   3           H        TRP   3 -12.591  14.076  10.158
   22    HA   TRP   3           HA       TRP   3 -12.823  11.960  11.230
   23   1HB   TRP   3          1HB       TRP   3 -14.941  13.752  11.710
   24   2HB   TRP   3          2HB       TRP   3 -15.692  12.167  11.513
   25    HD1  TRP   3           HD1      TRP   3 -15.723  10.734  13.609
   26    HE1  TRP   3           HE1      TRP   3 -14.375  10.640  15.803
   27    HE3  TRP   3           HE3      TRP   3 -12.262  14.368  12.674
   28    HZ2  TRP   3           HZ2      TRP   3 -12.123  11.934  17.003
   29    HZ3  TRP   3           HZ3      TRP   3 -10.527  14.917  14.355
   30    HH2  TRP   3           HH2      TRP   3 -10.454  13.705  16.519
   31    QB   TRP   3           QB       TRP   3 -15.317  12.959  11.612
   32    H    ALA   4           H        ALA   4 -12.632  11.151   8.644
   33    HA   ALA   4           HA       ALA   4 -13.951   8.733   8.445
   34   1HB   ALA   4          3HB       ALA   4 -16.129   9.346   8.192
   35   2HB   ALA   4          1HB       ALA   4 -15.705  10.998   7.742
   36   3HB   ALA   4          2HB       ALA   4 -15.653   9.714   6.534
   37    MB   ALA   4           MB       ALA   4 -15.829  10.019   7.490
   38    H    LEU   5           H        LEU   5 -13.827  11.413   6.066
   39    HA   LEU   5           HA       LEU   5 -12.839   9.894   3.915
   40   1HB   LEU   5          1HB       LEU   5 -13.377  12.587   4.383
   41   2HB   LEU   5          2HB       LEU   5 -11.653  12.562   4.013
   42    HG   LEU   5           HG       LEU   5 -13.111  10.798   2.231
   43   1HD1  LEU   5          1HD1      LEU   5 -14.377  13.335   2.880
   44   2HD1  LEU   5          2HD1      LEU   5 -13.909  13.272   1.182
   45   3HD1  LEU   5          3HD1      LEU   5 -14.964  12.028   1.852
   46   1HD2  LEU   5          1HD2      LEU   5 -10.996  12.806   2.221
   47   2HD2  LEU   5          2HD2      LEU   5 -11.231  11.430   1.144
   48   3HD2  LEU   5          3HD2      LEU   5 -12.041  12.960   0.808
   49    MD1  LEU   5           MD1      LEU   5 -14.417  12.878   1.971
   50    MD2  LEU   5           MD2      LEU   5 -11.423  12.399   1.391
   51    QB   LEU   5           QB       LEU   5 -12.515  12.575   4.198
   52    QD   LEU   5           QD       LEU   5 -12.920  12.638   1.681
   53    H    GLU   6           H        GLU   6 -11.100  11.349   6.624
   54    HA   GLU   6           HA       GLU   6  -8.453  10.991   5.604
   55   1HB   GLU   6          2HB       GLU   6  -9.075  12.366   7.619
   56   2HB   GLU   6          1HB       GLU   6  -7.716  11.276   7.894
   57   1HG   GLU   6          1HG       GLU   6 -10.568  10.504   8.545
   58   2HG   GLU   6          2HG       GLU   6  -9.082   9.725   9.089
   59    QB   GLU   6           QB       GLU   6  -8.395  11.821   7.756
   60    QG   GLU   6           QG       GLU   6  -9.825  10.115   8.817
   61    H    MET   7           H        MET   7 -10.625   8.818   7.375
   62    HA   MET   7           HA       MET   7  -8.594   6.743   7.658
   63   1HB   MET   7          1HB       MET   7 -10.701   7.119   9.123
   64   2HB   MET   7          2HB       MET   7 -11.571   6.286   7.833
   65   1HG   MET   7          1HG       MET   7 -10.679   4.265   8.371
   66   2HG   MET   7          2HG       MET   7  -9.083   4.948   8.681
   67   1HE   MET   7          1HE       MET   7 -12.694   4.740   9.821
   68   2HE   MET   7          2HE       MET   7 -11.993   3.188  10.268
   69   3HE   MET   7          3HE       MET   7 -12.578   4.291  11.521
   70    QB   MET   7           QB       MET   7 -11.136   6.703   8.478
   71    QG   MET   7           QG       MET   7  -9.881   4.606   8.526
   72    ME   MET   7           ME       MET   7 -12.422   4.073  10.537
   73    H    ALA   8           H        ALA   8 -11.669   6.830   5.816
   74    HA   ALA   8           HA       ALA   8 -11.357   4.554   4.274
   75   1HB   ALA   8          3HB       ALA   8 -13.233   5.376   3.349
   76   2HB   ALA   8          2HB       ALA   8 -12.287   6.609   2.513
   77   3HB   ALA   8          1HB       ALA   8 -12.927   6.930   4.125
   78    MB   ALA   8           MB       ALA   8 -12.816   6.305   3.329
   79    H    ASP   9           H        ASP   9  -9.890   7.743   3.633
   80    HA   ASP   9           HA       ASP   9  -8.708   7.070   1.129
   81   1HB   ASP   9          1HB       ASP   9  -8.575   9.241   3.020
   82   2HB   ASP   9          2HB       ASP   9  -6.949   8.836   2.472
   83    QB   ASP   9           QB       ASP   9  -7.762   9.038   2.746
   84    H    THR  10           H        THR  10  -7.474   6.723   4.454
   85    HA   THR  10           HA       THR  10  -4.844   5.931   3.916
   86    HB   THR  10           HB       THR  10  -6.465   4.460   5.978
   87    HG1  THR  10           HG1      THR  10  -5.989   7.195   5.750
   88   1HG2  THR  10          1HG2      THR  10  -3.969   4.132   5.606
   89   2HG2  THR  10          2HG2      THR  10  -3.757   5.793   6.160
   90   3HG2  THR  10          3HG2      THR  10  -4.441   4.582   7.243
   91    MG   THR  10           MG       THR  10  -4.056   4.836   6.336
   92    H    PHE  11           H        PHE  11  -7.787   3.922   3.849
   93    HA   PHE  11           HA       PHE  11  -6.316   1.505   3.168
   94   1HB   PHE  11          1HB       PHE  11  -8.997   2.191   3.882
   95   2HB   PHE  11          2HB       PHE  11  -9.047   1.313   2.352
   96    HD1  PHE  11           HD1      PHE  11  -7.006  -0.628   2.392
   97    HD2  PHE  11           HD2      PHE  11  -9.350   0.785   5.702
   98    HE1  PHE  11           HE1      PHE  11  -6.583  -2.751   3.598
   99    HE2  PHE  11           HE2      PHE  11  -8.929  -1.340   6.908
  100    HZ   PHE  11           HZ       PHE  11  -7.544  -3.109   5.857
  101    QB   PHE  11           QB       PHE  11  -9.022   1.752   3.117
  102    QD   PHE  11           QD       PHE  11  -8.178   0.078   4.047
  103    QE   PHE  11           QE       PHE  11  -7.756  -2.046   5.253
  104    QR   PHE  11           QR       PHE  11  -7.882  -1.409   4.891
  105    H    LEU  12           H        LEU  12  -8.294   3.829   1.324
  106    HA   LEU  12           HA       LEU  12  -7.928   2.452  -1.188
  107   1HB   LEU  12          1HB       LEU  12  -8.914   5.185  -0.397
  108   2HB   LEU  12          2HB       LEU  12  -8.663   4.777  -2.095
  109    HG   LEU  12           HG       LEU  12 -10.075   2.652  -0.706
  110   1HD1  LEU  12          1HD1      LEU  12 -10.979   5.463  -0.321
  111   2HD1  LEU  12          2HD1      LEU  12 -12.215   4.286  -0.768
  112   3HD1  LEU  12          3HD1      LEU  12 -11.254   4.044   0.691
  113   1HD2  LEU  12          1HD2      LEU  12  -9.998   4.017  -3.238
  114   2HD2  LEU  12          2HD2      LEU  12 -10.729   2.458  -2.852
  115   3HD2  LEU  12          3HD2      LEU  12 -11.667   3.941  -2.676
  116    MD1  LEU  12           MD1      LEU  12 -11.483   4.597  -0.133
  117    MD2  LEU  12           MD2      LEU  12 -10.798   3.472  -2.922
  118    QB   LEU  12           QB       LEU  12  -8.789   4.981  -1.246
  119    QD   LEU  12           QD       LEU  12 -11.140   4.035  -1.528
  120    H    ASP  13           H        ASP  13  -5.737   4.098   0.703
  121    HA   ASP  13           HA       ASP  13  -4.317   5.709  -1.176
  122   1HB   ASP  13          1HB       ASP  13  -3.983   4.899   1.516
  123   2HB   ASP  13          2HB       ASP  13  -2.505   4.436   0.671
  124    QB   ASP  13           QB       ASP  13  -3.244   4.668   1.094
  125    H    ASN  14           H        ASN  14  -3.565   2.370  -0.098
  126    HA   ASN  14           HA       ASN  14  -1.486   1.890  -1.956
  127   1HB   ASN  14          1HB       ASN  14  -2.243  -0.573  -1.678
  128   2HB   ASN  14          2HB       ASN  14  -1.727   0.293  -0.230
  129   2HD2  ASN  14          1HD2      ASN  14  -4.706  -0.510  -2.085
  130   1HD2  ASN  14          2HD2      ASN  14  -5.725  -0.539  -0.728
  131    QB   ASN  14           QB       ASN  14  -1.985  -0.140  -0.954
  132    QD   ASN  14           QD       ASN  14  -5.215  -0.525  -1.407
  133    H    MET  15           H        MET  15  -4.852   2.237  -2.515
  134    HA   MET  15           HA       MET  15  -4.440   1.316  -5.324
  135   1HB   MET  15          1HB       MET  15  -6.154   0.106  -3.383
  136   2HB   MET  15          2HB       MET  15  -7.174   0.902  -4.581
  137   1HG   MET  15          2HG       MET  15  -5.296  -0.262  -6.189
  138   2HG   MET  15          1HG       MET  15  -6.845  -1.001  -5.784
  139   1HE   MET  15          1HE       MET  15  -3.385  -0.856  -5.847
  140   2HE   MET  15          2HE       MET  15  -2.664  -2.051  -4.760
  141   3HE   MET  15          3HE       MET  15  -3.466  -2.572  -6.241
  142    QB   MET  15           QB       MET  15  -6.664   0.504  -3.982
  143    QG   MET  15           QG       MET  15  -6.070  -0.632  -5.987
  144    ME   MET  15           ME       MET  15  -3.172  -1.827  -5.616
  145    H    ARG  16           H        ARG  16  -4.100   3.861  -5.060
  146    HA   ARG  16           HA       ARG  16  -6.738   5.214  -5.391
  147   1HB   ARG  16          1HB       ARG  16  -5.121   6.133  -3.682
  148   2HB   ARG  16          2HB       ARG  16  -4.011   6.487  -5.006
  149   1HG   ARG  16          1HG       ARG  16  -6.438   7.545  -5.872
  150   2HG   ARG  16          2HG       ARG  16  -6.389   7.945  -4.155
  151   1HD   ARG  16          1HD       ARG  16  -3.929   8.674  -4.650
  152   2HD   ARG  16          2HD       ARG  16  -4.466   8.730  -6.329
  153    HE   ARG  16           HE       ARG  16  -5.988  10.245  -4.265
  154   1HH1  ARG  16          1HH1      ARG  16  -6.707  10.553  -7.119
  155   2HH1  ARG  16          2HH1      ARG  16  -5.829  11.972  -7.584
  156   1HH2  ARG  16          1HH2      ARG  16  -3.698  11.870  -4.850
  157   2HH2  ARG  16          2HH2      ARG  16  -4.121  12.713  -6.302
  158    QB   ARG  16           QB       ARG  16  -4.566   6.310  -4.344
  159    QG   ARG  16           QG       ARG  16  -6.414   7.745  -5.013
  160    QD   ARG  16           QD       ARG  16  -4.197   8.702  -5.490
  161    QH1  ARG  16           QH1      ARG  16  -6.268  11.263  -7.351
  162    QH2  ARG  16           QH2      ARG  16  -3.910  12.291  -5.576
  163    H    VAL  17           H        VAL  17  -6.601   3.996  -7.570
  164    HA   VAL  17           HA       VAL  17  -6.088   3.957  -9.867
  165    HB   VAL  17           HB       VAL  17  -6.480   6.061 -10.968
  166   1HG1  VAL  17          1HG1      VAL  17  -8.012   5.572  -8.434
  167   2HG1  VAL  17          2HG1      VAL  17  -8.387   6.992  -9.410
  168   3HG1  VAL  17          3HG1      VAL  17  -8.534   5.379 -10.105
  169   1HG2  VAL  17          1HG2      VAL  17  -4.799   7.279  -9.430
  170   2HG2  VAL  17          2HG2      VAL  17  -6.215   8.189  -9.951
  171   3HG2  VAL  17          3HG2      VAL  17  -6.160   7.500  -8.331
  172    MG1  VAL  17           MG1      VAL  17  -8.311   5.981  -9.316
  173    MG2  VAL  17           MG2      VAL  17  -5.725   7.656  -9.237
  174    QG   VAL  17           QG       VAL  17  -7.018   6.818  -9.277
  175    H    GLY  18           H        GLY  18  -3.823   3.791  -8.081
  176   1HA   GLY  18          1HA       GLY  18  -1.587   3.585  -9.407
  177   2HA   GLY  18          2HA       GLY  18  -1.740   5.337  -9.557
  178    QA   GLY  18           QA       GLY  18  -1.664   4.461  -9.482
  179   1HB   PRO  19          1HB       PRO  19   2.507   3.300  -5.772
  180   2HB   PRO  19          2HB       PRO  19   1.182   2.125  -5.710
  181   1HG   PRO  19          2HG       PRO  19   1.795   1.641  -7.885
  182   2HG   PRO  19          1HG       PRO  19   2.636   3.188  -8.086
  183   1HD   PRO  19          1HD       PRO  19   0.793   3.913  -9.253
  184   2HD   PRO  19          2HD       PRO  19  -0.145   2.485  -8.767
  185    QB   PRO  19           QB       PRO  19   1.844   2.713  -5.741
  186    QG   PRO  19           QG       PRO  19   2.215   2.415  -7.985
  187    QD   PRO  19           QD       PRO  19   0.324   3.199  -9.010
  188    H    ARG  20           H        ARG  20   0.353   5.894  -4.259
  189    HA   ARG  20           HA       ARG  20   1.444   8.180  -5.580
  190   1HB   ARG  20          1HB       ARG  20   1.498   9.206  -3.381
  191   2HB   ARG  20          2HB       ARG  20   0.035   8.226  -3.493
  192   1HG   ARG  20          1HG       ARG  20   1.176   6.379  -2.322
  193   2HG   ARG  20          2HG       ARG  20   2.642   7.353  -2.211
  194   1HD   ARG  20          1HD       ARG  20   1.150   9.104  -1.029
  195   2HD   ARG  20          2HD       ARG  20  -0.008   7.789  -0.837
  196    HE   ARG  20           HE       ARG  20   2.716   7.171   0.075
  197   1HH1  ARG  20          1HH1      ARG  20   1.240   5.547   1.570
  198   2HH1  ARG  20          2HH1      ARG  20   0.620   6.429   2.924
  199   1HH2  ARG  20          1HH2      ARG  20   1.194   9.538   1.494
  200   2HH2  ARG  20          2HH2      ARG  20   0.597   8.692   2.882
  201    QB   ARG  20           QB       ARG  20   0.767   8.716  -3.437
  202    QG   ARG  20           QG       ARG  20   1.909   6.866  -2.266
  203    QD   ARG  20           QD       ARG  20   0.571   8.446  -0.933
  204    QH1  ARG  20           QH1      ARG  20   0.930   5.988   2.247
  205    QH2  ARG  20           QH2      ARG  20   0.895   9.115   2.188
  206    H    THR  21           H        THR  21   2.940   5.395  -4.278
  207    HA   THR  21           HA       THR  21   5.602   6.701  -4.605
  208    HB   THR  21           HB       THR  21   6.273   5.044  -2.663
  209    HG1  THR  21           HG1      THR  21   4.517   4.904  -1.172
  210   1HG2  THR  21          1HG2      THR  21   5.618   7.782  -2.820
  211   2HG2  THR  21          2HG2      THR  21   4.852   7.189  -1.346
  212   3HG2  THR  21          3HG2      THR  21   6.588   6.989  -1.579
  213    MG   THR  21           MG       THR  21   5.686   7.320  -1.915
  214    H    TYR  22           H        TYR  22   7.068   5.432  -5.719
  215    HA   TYR  22           HA       TYR  22   6.042   2.854  -6.781
  216   1HB   TYR  22          1HB       TYR  22   8.682   3.413  -7.741
  217   2HB   TYR  22          2HB       TYR  22   7.174   3.432  -8.649
  218    HD1  TYR  22           HD1      TYR  22   5.832   5.546  -8.796
  219    HD2  TYR  22           HD2      TYR  22   9.752   5.438  -7.039
  220    HE1  TYR  22           HE1      TYR  22   5.989   8.013  -8.994
  221    HE2  TYR  22           HE2      TYR  22   9.908   7.904  -7.238
  222    HH   TYR  22           HH       TYR  22   7.452   9.772  -8.936
  223    QB   TYR  22           QB       TYR  22   7.928   3.423  -8.195
  224    QD   TYR  22           QD       TYR  22   7.792   5.492  -7.918
  225    QE   TYR  22           QE       TYR  22   7.948   7.959  -8.116
  226    QR   TYR  22           QR       TYR  22   7.870   6.725  -8.017
  227    H    ALA  23           H        ALA  23   9.023   4.008  -5.167
  228    HA   ALA  23           HA       ALA  23  10.282   1.570  -4.812
  229   1HB   ALA  23          1HB       ALA  23   9.998   3.974  -3.055
  230   2HB   ALA  23          3HB       ALA  23  11.442   3.351  -3.853
  231   3HB   ALA  23          2HB       ALA  23  10.809   2.545  -2.417
  232    MB   ALA  23           MB       ALA  23  10.750   3.290  -3.109
  233    H    ASP  24           H        ASP  24   7.943   2.993  -2.679
  234    HA   ASP  24           HA       ASP  24   7.477   0.979  -0.811
  235   1HB   ASP  24          1HB       ASP  24   6.533   3.388  -0.976
  236   2HB   ASP  24          2HB       ASP  24   5.219   2.649  -1.892
  237    QB   ASP  24           QB       ASP  24   5.876   3.018  -1.434
  238    H    VAL  25           H        VAL  25   5.814   1.351  -3.983
  239    HA   VAL  25           HA       VAL  25   4.507  -1.250  -3.401
  240    HB   VAL  25           HB       VAL  25   4.187   0.630  -5.764
  241   1HG1  VAL  25          1HG1      VAL  25   2.737  -1.917  -4.988
  242   2HG1  VAL  25          2HG1      VAL  25   2.169  -0.795  -6.223
  243   3HG1  VAL  25          3HG1      VAL  25   3.697  -1.646  -6.442
  244   1HG2  VAL  25          1HG2      VAL  25   2.887   0.378  -3.110
  245   2HG2  VAL  25          2HG2      VAL  25   3.010   1.779  -4.173
  246   3HG2  VAL  25          3HG2      VAL  25   1.785   0.548  -4.477
  247    MG1  VAL  25           MG1      VAL  25   2.867  -1.452  -5.884
  248    MG2  VAL  25           MG2      VAL  25   2.561   0.902  -3.920
  249    QG   VAL  25           QG       VAL  25   2.714  -0.275  -4.902
  250    H    ARG  26           H        ARG  26   7.379  -0.209  -4.746
  251    HA   ARG  26           HA       ARG  26   7.535  -2.057  -6.946
  252   1HB   ARG  26          1HB       ARG  26   8.914   0.158  -6.354
  253   2HB   ARG  26          2HB       ARG  26  10.027  -1.049  -5.742
  254   1HG   ARG  26          1HG       ARG  26  10.545  -1.805  -7.819
  255   2HG   ARG  26          2HG       ARG  26   8.868  -1.719  -8.354
  256   1HD   ARG  26          1HD       ARG  26   9.181   0.298  -9.313
  257   2HD   ARG  26          2HD       ARG  26   9.994   0.929  -7.880
  258    HE   ARG  26           HE       ARG  26  12.092  -0.146  -8.761
  259   1HH1  ARG  26          1HH1      ARG  26   9.837   1.416 -10.713
  260   2HH1  ARG  26          2HH1      ARG  26  10.567   0.963 -12.217
  261   1HH2  ARG  26          1HH2      ARG  26  12.863  -1.185 -10.761
  262   2HH2  ARG  26          2HH2      ARG  26  12.274  -0.510 -12.244
  263    QB   ARG  26           QB       ARG  26   9.470  -0.445  -6.048
  264    QG   ARG  26           QG       ARG  26   9.707  -1.762  -8.086
  265    QD   ARG  26           QD       ARG  26   9.588   0.614  -8.597
  266    QH1  ARG  26           QH1      ARG  26  10.202   1.190 -11.465
  267    QH2  ARG  26           QH2      ARG  26  12.569  -0.848 -11.503
  268    H    ASP  27           H        ASP  27   9.521  -2.155  -3.943
  269    HA   ASP  27           HA       ASP  27  10.683  -4.721  -4.249
  270   1HB   ASP  27          1HB       ASP  27  10.991  -3.557  -1.997
  271   2HB   ASP  27          2HB       ASP  27   9.423  -4.196  -1.504
  272    QB   ASP  27           QB       ASP  27  10.207  -3.877  -1.751
  273    H    GLU  28           H        GLU  28   7.369  -4.086  -3.703
  274    HA   GLU  28           HA       GLU  28   6.879  -6.967  -3.790
  275   1HB   GLU  28          1HB       GLU  28   5.252  -4.687  -3.096
  276   2HB   GLU  28          2HB       GLU  28   4.598  -5.343  -4.594
  277   1HG   GLU  28          1HG       GLU  28   4.950  -6.743  -1.940
  278   2HG   GLU  28          2HG       GLU  28   3.458  -6.503  -2.849
  279    QB   GLU  28           QB       GLU  28   4.925  -5.015  -3.845
  280    QG   GLU  28           QG       GLU  28   4.204  -6.623  -2.394
  281    H    ILE  29           H        ILE  29   8.497  -6.838  -5.381
  282    HA   ILE  29           HA       ILE  29   8.902  -6.842  -7.720
  283    HB   ILE  29           HB       ILE  29   7.650  -4.132  -7.599
  284   1HG1  ILE  29          1HG1      ILE  29   7.073  -6.000  -9.807
  285   2HG1  ILE  29          2HG1      ILE  29   6.529  -6.546  -8.220
  286   1HG2  ILE  29          1HG2      ILE  29   9.797  -5.169  -9.314
  287   2HG2  ILE  29          2HG2      ILE  29   8.433  -4.488 -10.202
  288   3HG2  ILE  29          3HG2      ILE  29   9.296  -3.504  -9.019
  289   1HD1  ILE  29          1HD1      ILE  29   5.973  -3.711  -8.714
  290   2HD1  ILE  29          2HD1      ILE  29   5.161  -4.786  -9.851
  291   3HD1  ILE  29          3HD1      ILE  29   4.902  -4.978  -8.117
  292    MG   ILE  29           MG       ILE  29   9.175  -4.387  -9.512
  293    MD   ILE  29           MD       ILE  29   5.345  -4.492  -8.894
  294    QG   ILE  29           QG       ILE  29   6.801  -6.273  -9.013
  295    H    ASN  30           H        ASN  30   9.790  -3.583  -7.151
  296    HA   ASN  30           HA       ASN  30  12.284  -4.575  -5.825
  297   1HB   ASN  30          1HB       ASN  30  12.171  -2.595  -8.067
  298   2HB   ASN  30          2HB       ASN  30  13.617  -3.091  -7.196
  299   2HD2  ASN  30          1HD2      ASN  30  14.022  -3.681  -9.719
  300   1HD2  ASN  30          2HD2      ASN  30  13.651  -5.286 -10.127
  301    QB   ASN  30           QB       ASN  30  12.894  -2.843  -7.631
  302    QD   ASN  30           QD       ASN  30  13.836  -4.483  -9.923
  303    H    LYS  31           H        LYS  31  11.345  -3.581  -3.826
  304    HA   LYS  31           HA       LYS  31  12.333  -1.685  -2.445
  305   1HB   LYS  31          1HB       LYS  31  11.003  -0.133  -4.605
  306   2HB   LYS  31          2HB       LYS  31  11.175   0.582  -3.008
  307   1HG   LYS  31          1HG       LYS  31  13.552   0.302  -3.028
  308   2HG   LYS  31          2HG       LYS  31  13.488  -0.712  -4.469
  309   1HD   LYS  31          1HD       LYS  31  12.442   1.339  -5.639
  310   2HD   LYS  31          2HD       LYS  31  13.016   2.264  -4.252
  311   1HE   LYS  31          1HE       LYS  31  15.168   0.607  -5.065
  312   2HE   LYS  31          2HE       LYS  31  14.508   1.332  -6.531
  313   1HZ   LYS  31          1HZ       LYS  31  14.733   3.156  -4.313
  314   2HZ   LYS  31          2HZ       LYS  31  16.226   2.546  -4.849
  315   3HZ   LYS  31          3HZ       LYS  31  15.197   3.356  -5.932
  316    QB   LYS  31           QB       LYS  31  11.089   0.224  -3.807
  317    QD   LYS  31           QD       LYS  31  12.729   1.801  -4.946
  318    QG   LYS  31           QG       LYS  31  13.520  -0.205  -3.748
  319    QE   LYS  31           QE       LYS  31  14.838   0.970  -5.798
  320    QZ   LYS  31           QZ       LYS  31  15.385   3.019  -5.031
  321    H    ARG  32           H        ARG  32   8.889  -2.781  -3.000
  322    HA   ARG  32           HA       ARG  32   7.616  -1.215  -1.059
  323   1HB   ARG  32          1HB       ARG  32   6.478  -2.752  -2.652
  324   2HB   ARG  32          2HB       ARG  32   7.193  -4.129  -1.812
  325   1HG   ARG  32          1HG       ARG  32   5.706  -4.016  -0.087
  326   2HG   ARG  32          2HG       ARG  32   5.776  -2.257  -0.019
  327   1HD   ARG  32          1HD       ARG  32   3.910  -2.034  -1.274
  328   2HD   ARG  32          2HD       ARG  32   4.460  -3.224  -2.448
  329    HE   ARG  32           HE       ARG  32   3.344  -4.159   0.154
  330   1HH1  ARG  32          1HH1      ARG  32   2.792  -3.512  -3.175
  331   2HH1  ARG  32          2HH1      ARG  32   1.752  -4.876  -3.408
  332   1HH2  ARG  32          1HH2      ARG  32   2.160  -6.085  -0.187
  333   2HH2  ARG  32          2HH2      ARG  32   1.395  -6.329  -1.721
  334    QB   ARG  32           QB       ARG  32   6.835  -3.441  -2.232
  335    QG   ARG  32           QG       ARG  32   5.741  -3.136  -0.053
  336    QD   ARG  32           QD       ARG  32   4.185  -2.629  -1.861
  337    QH1  ARG  32           QH1      ARG  32   2.272  -4.194  -3.292
  338    QH2  ARG  32           QH2      ARG  32   1.777  -6.207  -0.954
  339    H    GLY  33           H        GLY  33  10.314  -2.965  -0.349
  340   1HA   GLY  33          1HA       GLY  33  11.216  -3.681   1.681
  341   2HA   GLY  33          2HA       GLY  33   9.894  -2.813   2.459
  342    QA   GLY  33           QA       GLY  33  10.555  -3.247   2.070
  343    H    ARG  34           H        ARG  34   8.611  -4.097   3.664
  344    HA   ARG  34           HA       ARG  34   8.080  -6.876   2.707
  345   1HB   ARG  34          1HB       ARG  34   9.054  -5.960   5.404
  346   2HB   ARG  34          2HB       ARG  34   8.073  -7.420   5.267
  347   1HG   ARG  34          1HG       ARG  34   9.812  -8.603   4.456
  348   2HG   ARG  34          2HG       ARG  34  10.161  -7.369   3.245
  349   1HD   ARG  34          1HD       ARG  34  12.023  -6.898   4.431
  350   2HD   ARG  34          2HD       ARG  34  10.956  -6.197   5.649
  351    HE   ARG  34           HE       ARG  34  11.312  -8.113   7.000
  352   1HH1  ARG  34          1HH1      ARG  34  12.224  -8.663   3.720
  353   2HH1  ARG  34          2HH1      ARG  34  13.105 -10.111   4.068
  354   1HH2  ARG  34          1HH2      ARG  34  12.546  -9.955   7.484
  355   2HH2  ARG  34          2HH2      ARG  34  13.292 -10.838   6.195
  356    QB   ARG  34           QB       ARG  34   8.564  -6.690   5.336
  357    QG   ARG  34           QG       ARG  34   9.987  -7.986   3.851
  358    QD   ARG  34           QD       ARG  34  11.490  -6.547   5.040
  359    QH1  ARG  34           QH1      ARG  34  12.665  -9.387   3.894
  360    QH2  ARG  34           QH2      ARG  34  12.919 -10.397   6.840

  No H/Q in entry =         360
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1 -11.014  13.691  -3.087
    2    H2   MET   1           H2       MET   1 -10.656  12.642  -4.377
    3    H3   MET   1           H3       MET   1 -11.530  14.073  -4.656
    4    HA   MET   1           HA       MET   1 -13.327  12.764  -4.548
    5   1HB   MET   1          1HB       MET   1 -11.659  10.867  -2.868
    6   2HB   MET   1          2HB       MET   1 -13.278  10.532  -3.485
    7   1HG   MET   1          1HG       MET   1 -11.915  11.350  -5.751
    8   2HG   MET   1          2HG       MET   1 -10.698  10.424  -4.873
    9   1HE   MET   1          1HE       MET   1 -13.336  10.368  -7.355
   10   2HE   MET   1          2HE       MET   1 -11.779   9.621  -7.700
   11   3HE   MET   1          3HE       MET   1 -13.259   8.656  -7.763
   12    QB   MET   1           QB       MET   1 -12.468  10.699  -3.177
   13    QG   MET   1           QG       MET   1 -11.306  10.887  -5.312
   14    ME   MET   1           ME       MET   1 -12.791   9.549  -7.606
   15    H    SER   2           H        SER   2 -15.092  12.631  -3.054
   16    HA   SER   2           HA       SER   2 -14.467  13.739  -0.345
   17   1HB   SER   2          1HB       SER   2 -16.043  14.883  -2.363
   18   2HB   SER   2          2HB       SER   2 -17.200  14.197  -1.229
   19    HG   SER   2           HG       SER   2 -16.683  16.225  -0.500
   20    QB   SER   2           QB       SER   2 -16.621  14.540  -1.796
   21    H    TRP   3           H        TRP   3 -14.559  10.939  -0.931
   22    HA   TRP   3           HA       TRP   3 -17.155  10.138   0.325
   23   1HB   TRP   3          1HB       TRP   3 -15.233   8.688  -1.493
   24   2HB   TRP   3          2HB       TRP   3 -16.433   7.819  -0.534
   25    HD1  TRP   3           HD1      TRP   3 -19.012   9.182  -0.765
   26    HE1  TRP   3           HE1      TRP   3 -20.184   9.737  -2.992
   27    HE3  TRP   3           HE3      TRP   3 -15.006   9.037  -3.930
   28    HZ2  TRP   3           HZ2      TRP   3 -19.512  10.071  -5.755
   29    HZ3  TRP   3           HZ3      TRP   3 -15.301   9.473  -6.352
   30    HH2  TRP   3           HH2      TRP   3 -17.546   9.989  -7.268
   31    QB   TRP   3           QB       TRP   3 -15.833   8.254  -1.014
   32    H    ALA   4           H        ALA   4 -15.587  11.069   2.285
   33    HA   ALA   4           HA       ALA   4 -14.433  10.470   4.248
   34   1HB   ALA   4          2HB       ALA   4 -15.317   7.682   3.437
   35   2HB   ALA   4          1HB       ALA   4 -16.287   8.817   4.376
   36   3HB   ALA   4          3HB       ALA   4 -14.784   8.180   5.043
   37    MB   ALA   4           MB       ALA   4 -15.463   8.226   4.286
   38    H    LEU   5           H        LEU   5 -12.961  10.576   1.689
   39    HA   LEU   5           HA       LEU   5 -11.147   8.338   1.560
   40   1HB   LEU   5          1HB       LEU   5 -11.615  10.117  -0.251
   41   2HB   LEU   5          2HB       LEU   5 -10.488  11.137   0.641
   42    HG   LEU   5           HG       LEU   5  -8.821   9.224   0.507
   43   1HD1  LEU   5          1HD1      LEU   5 -10.826   7.637  -0.144
   44   2HD1  LEU   5          2HD1      LEU   5 -10.472   8.193  -1.780
   45   3HD1  LEU   5          3HD1      LEU   5  -9.228   7.367  -0.841
   46   1HD2  LEU   5          1HD2      LEU   5  -9.813  10.895  -1.749
   47   2HD2  LEU   5          2HD2      LEU   5  -8.216  10.846  -1.005
   48   3HD2  LEU   5          3HD2      LEU   5  -8.686   9.604  -2.165
   49    MD1  LEU   5           MD1      LEU   5 -10.176   7.732  -0.922
   50    MD2  LEU   5           MD2      LEU   5  -8.905  10.448  -1.640
   51    QB   LEU   5           QB       LEU   5 -11.052  10.627   0.195
   52    QD   LEU   5           QD       LEU   5  -9.540   9.090  -1.281
   53    H    GLU   6           H        GLU   6 -11.338  11.154   3.583
   54    HA   GLU   6           HA       GLU   6  -8.597  11.403   4.329
   55   1HB   GLU   6          1HB       GLU   6 -11.173  11.976   5.809
   56   2HB   GLU   6          2HB       GLU   6  -9.590  12.305   6.515
   57   1HG   GLU   6          1HG       GLU   6  -9.039  13.692   4.503
   58   2HG   GLU   6          2HG       GLU   6 -10.691  13.452   3.933
   59    QB   GLU   6           QB       GLU   6 -10.382  12.141   6.162
   60    QG   GLU   6           QG       GLU   6  -9.865  13.572   4.218
   61    H    MET   7           H        MET   7 -11.233   9.615   5.968
   62    HA   MET   7           HA       MET   7  -9.364   8.211   7.713
   63   1HB   MET   7          1HB       MET   7 -12.151   8.645   7.619
   64   2HB   MET   7          2HB       MET   7 -11.936   6.903   7.436
   65   1HG   MET   7          1HG       MET   7 -10.376   8.374   9.542
   66   2HG   MET   7          2HG       MET   7 -12.059   7.943   9.849
   67   1HE   MET   7          1HE       MET   7  -9.253   7.306  11.084
   68   2HE   MET   7          2HE       MET   7  -8.852   5.592  11.169
   69   3HE   MET   7          3HE       MET   7  -8.341   6.556   9.775
   70    QB   MET   7           QB       MET   7 -12.044   7.774   7.528
   71    QG   MET   7           QG       MET   7 -11.217   8.158   9.695
   72    ME   MET   7           ME       MET   7  -8.815   6.485  10.676
   73    H    ALA   8           H        ALA   8 -11.475   7.216   5.028
   74    HA   ALA   8           HA       ALA   8 -10.743   4.563   4.680
   75   1HB   ALA   8          3HB       ALA   8 -11.673   4.724   2.577
   76   2HB   ALA   8          2HB       ALA   8 -10.854   6.243   2.216
   77   3HB   ALA   8          1HB       ALA   8 -12.277   6.236   3.257
   78    MB   ALA   8           MB       ALA   8 -11.602   5.734   2.683
   79    H    ASP   9           H        ASP   9  -8.820   7.415   4.037
   80    HA   ASP   9           HA       ASP   9  -6.922   6.695   2.222
   81   1HB   ASP   9          1HB       ASP   9  -6.908   8.743   3.729
   82   2HB   ASP   9          2HB       ASP   9  -6.117   7.738   4.944
   83    QB   ASP   9           QB       ASP   9  -6.512   8.241   4.337
   84    H    THR  10           H        THR  10  -7.225   5.321   5.466
   85    HA   THR  10           HA       THR  10  -4.799   3.716   5.326
   86    HB   THR  10           HB       THR  10  -5.522   2.769   7.407
   87    HG1  THR  10           HG1      THR  10  -7.559   2.525   7.877
   88   1HG2  THR  10          1HG2      THR  10  -4.888   5.211   7.390
   89   2HG2  THR  10          2HG2      THR  10  -6.610   5.594   7.356
   90   3HG2  THR  10          3HG2      THR  10  -5.923   4.738   8.737
   91    MG   THR  10           MG       THR  10  -5.807   5.181   7.828
   92    H    PHE  11           H        PHE  11  -5.881   3.125   3.000
   93    HA   PHE  11           HA       PHE  11  -6.182   0.413   2.725
   94   1HB   PHE  11          1HB       PHE  11  -8.545   1.598   3.934
   95   2HB   PHE  11          2HB       PHE  11  -8.946   0.928   2.354
   96    HD1  PHE  11           HD1      PHE  11  -7.025  -1.329   2.171
   97    HD2  PHE  11           HD2      PHE  11  -9.415   0.036   5.470
   98    HE1  PHE  11           HE1      PHE  11  -6.998  -3.615   3.138
   99    HE2  PHE  11           HE2      PHE  11  -9.388  -2.249   6.435
  100    HZ   PHE  11           HZ       PHE  11  -8.180  -4.073   5.270
  101    QB   PHE  11           QB       PHE  11  -8.746   1.263   3.144
  102    QD   PHE  11           QD       PHE  11  -8.220  -0.646   3.821
  103    QE   PHE  11           QE       PHE  11  -8.193  -2.932   4.787
  104    QR   PHE  11           QR       PHE  11  -8.201  -2.246   4.497
  105    H    LEU  12           H        LEU  12  -8.368   3.040   1.721
  106    HA   LEU  12           HA       LEU  12  -7.937   2.496  -1.106
  107   1HB   LEU  12          1HB       LEU  12  -9.762   4.029   0.502
  108   2HB   LEU  12          2HB       LEU  12  -9.076   5.072  -0.746
  109    HG   LEU  12           HG       LEU  12  -9.599   3.231  -2.419
  110   1HD1  LEU  12          1HD1      LEU  12 -10.789   2.098   0.088
  111   2HD1  LEU  12          2HD1      LEU  12 -11.608   1.800  -1.446
  112   3HD1  LEU  12          3HD1      LEU  12  -9.939   1.273  -1.219
  113   1HD2  LEU  12          1HD2      LEU  12 -11.033   5.320  -1.864
  114   2HD2  LEU  12          2HD2      LEU  12 -11.813   4.003  -2.742
  115   3HD2  LEU  12          3HD2      LEU  12 -12.090   4.195  -1.011
  116    MD1  LEU  12           MD1      LEU  12 -10.779   1.724  -0.859
  117    MD2  LEU  12           MD2      LEU  12 -11.645   4.506  -1.872
  118    QB   LEU  12           QB       LEU  12  -9.419   4.550  -0.122
  119    QD   LEU  12           QD       LEU  12 -11.212   3.115  -1.366
  120    H    ASP  13           H        ASP  13  -5.851   3.775   1.072
  121    HA   ASP  13           HA       ASP  13  -4.999   6.273   0.361
  122   1HB   ASP  13          1HB       ASP  13  -3.858   4.148   1.696
  123   2HB   ASP  13          2HB       ASP  13  -2.752   4.382   0.342
  124    QB   ASP  13           QB       ASP  13  -3.305   4.265   1.019
  125    H    ASN  14           H        ASN  14  -3.616   3.416  -1.344
  126    HA   ASN  14           HA       ASN  14  -3.670   5.089  -3.818
  127   1HB   ASN  14          1HB       ASN  14  -1.335   3.988  -2.406
  128   2HB   ASN  14          2HB       ASN  14  -1.367   3.629  -4.133
  129   2HD2  ASN  14          1HD2      ASN  14   0.444   5.178  -4.447
  130   1HD2  ASN  14          2HD2      ASN  14   0.150   6.849  -4.426
  131    QB   ASN  14           QB       ASN  14  -1.351   3.808  -3.269
  132    QD   ASN  14           QD       ASN  14   0.297   6.014  -4.436
  133    H    MET  15           H        MET  15  -4.930   2.408  -2.554
  134    HA   MET  15           HA       MET  15  -4.260   0.421  -4.541
  135   1HB   MET  15          1HB       MET  15  -6.607   0.623  -2.638
  136   2HB   MET  15          2HB       MET  15  -6.230  -0.799  -3.611
  137   1HG   MET  15          1HG       MET  15  -3.904  -0.723  -2.521
  138   2HG   MET  15          2HG       MET  15  -4.606   0.410  -1.368
  139   1HE   MET  15          1HE       MET  15  -3.167  -2.204  -1.084
  140   2HE   MET  15          2HE       MET  15  -4.063  -3.465  -0.225
  141   3HE   MET  15          3HE       MET  15  -4.030  -3.446  -1.987
  142    QB   MET  15           QB       MET  15  -6.419  -0.088  -3.125
  143    QG   MET  15           QG       MET  15  -4.255  -0.157  -1.944
  144    ME   MET  15           ME       MET  15  -3.753  -3.038  -1.099
  145    H    ARG  16           H        ARG  16  -6.148   3.199  -4.625
  146    HA   ARG  16           HA       ARG  16  -7.912   3.915  -6.033
  147   1HB   ARG  16          1HB       ARG  16  -5.685   3.788  -7.392
  148   2HB   ARG  16          2HB       ARG  16  -6.439   2.398  -8.175
  149   1HG   ARG  16          1HG       ARG  16  -8.262   3.707  -8.977
  150   2HG   ARG  16          2HG       ARG  16  -7.844   5.063  -7.928
  151   1HD   ARG  16          1HD       ARG  16  -6.035   5.703  -9.250
  152   2HD   ARG  16          2HD       ARG  16  -5.837   4.091  -9.937
  153    HE   ARG  16           HE       ARG  16  -7.304   6.121 -11.186
  154   1HH1  ARG  16          1HH1      ARG  16  -7.123   2.774 -10.903
  155   2HH1  ARG  16          2HH1      ARG  16  -8.645   2.453 -11.665
  156   1HH2  ARG  16          1HH2      ARG  16  -9.584   5.791 -11.792
  157   2HH2  ARG  16          2HH2      ARG  16 -10.040   4.164 -12.171
  158    QB   ARG  16           QB       ARG  16  -6.062   3.093  -7.783
  159    QG   ARG  16           QG       ARG  16  -8.053   4.385  -8.452
  160    QD   ARG  16           QD       ARG  16  -5.936   4.897  -9.594
  161    QH1  ARG  16           QH1      ARG  16  -7.884   2.614 -11.284
  162    QH2  ARG  16           QH2      ARG  16  -9.812   4.977 -11.981
  163    H    VAL  17           H        VAL  17  -8.994   1.872  -4.728
  164    HA   VAL  17           HA       VAL  17 -10.712   0.276  -4.912
  165    HB   VAL  17           HB       VAL  17 -10.577   0.735  -7.901
  166   1HG1  VAL  17          1HG1      VAL  17 -12.041  -1.053  -6.486
  167   2HG1  VAL  17          2HG1      VAL  17 -13.118   0.343  -6.413
  168   3HG1  VAL  17          3HG1      VAL  17 -12.616  -0.303  -7.976
  169   1HG2  VAL  17          1HG2      VAL  17 -11.123   2.651  -5.842
  170   2HG2  VAL  17          2HG2      VAL  17 -11.251   2.862  -7.587
  171   3HG2  VAL  17          3HG2      VAL  17 -12.638   2.281  -6.666
  172    MG1  VAL  17           MG1      VAL  17 -12.592  -0.338  -6.958
  173    MG2  VAL  17           MG2      VAL  17 -11.671   2.598  -6.698
  174    QG   VAL  17           QG       VAL  17 -12.131   1.130  -6.828
  175    H    GLY  18           H        GLY  18  -7.893  -0.451  -4.999
  176   1HA   GLY  18          1HA       GLY  18  -7.327  -2.381  -7.018
  177   2HA   GLY  18          2HA       GLY  18  -6.570  -2.337  -5.426
  178    QA   GLY  18           QA       GLY  18  -6.949  -2.359  -6.222
  179   1HB   PRO  19          1HB       PRO  19  -9.261  -5.363  -1.565
  180   2HB   PRO  19          2HB       PRO  19  -7.699  -5.841  -2.254
  181   1HG   PRO  19          2HG       PRO  19  -6.957  -3.832  -1.387
  182   2HG   PRO  19          1HG       PRO  19  -8.593  -3.158  -1.305
  183   1HD   PRO  19          1HD       PRO  19  -8.077  -1.990  -3.217
  184   2HD   PRO  19          2HD       PRO  19  -6.593  -2.936  -3.468
  185    QB   PRO  19           QB       PRO  19  -8.480  -5.602  -1.910
  186    QG   PRO  19           QG       PRO  19  -7.775  -3.495  -1.346
  187    QD   PRO  19           QD       PRO  19  -7.335  -2.463  -3.342
  188    H    ARG  20           H        ARG  20 -11.003  -6.548  -4.164
  189    HA   ARG  20           HA       ARG  20 -13.067  -4.490  -3.490
  190   1HB   ARG  20          1HB       ARG  20 -12.768  -5.187  -5.991
  191   2HB   ARG  20          2HB       ARG  20 -13.555  -6.686  -5.496
  192   1HG   ARG  20          1HG       ARG  20 -14.772  -4.048  -4.730
  193   2HG   ARG  20          2HG       ARG  20 -15.025  -4.686  -6.355
  194   1HD   ARG  20          1HD       ARG  20 -15.484  -6.894  -4.753
  195   2HD   ARG  20          2HD       ARG  20 -16.169  -5.575  -3.805
  196    HE   ARG  20           HE       ARG  20 -17.055  -6.368  -6.534
  197   1HH1  ARG  20          1HH1      ARG  20 -17.950  -3.928  -6.969
  198   2HH1  ARG  20          2HH1      ARG  20 -19.268  -3.594  -5.897
  199   1HH2  ARG  20          1HH2      ARG  20 -18.503  -6.180  -3.720
  200   2HH2  ARG  20          2HH2      ARG  20 -19.581  -4.868  -4.059
  201    QB   ARG  20           QB       ARG  20 -13.161  -5.937  -5.744
  202    QG   ARG  20           QG       ARG  20 -14.899  -4.367  -5.543
  203    QD   ARG  20           QD       ARG  20 -15.827  -6.234  -4.279
  204    QH1  ARG  20           QH1      ARG  20 -18.609  -3.761  -6.433
  205    QH2  ARG  20           QH2      ARG  20 -19.042  -5.524  -3.890
  206    H    THR  21           H        THR  21 -12.679  -8.012  -3.987
  207    HA   THR  21           HA       THR  21 -13.335  -8.796  -1.354
  208    HB   THR  21           HB       THR  21 -15.542  -7.721  -1.909
  209    HG1  THR  21           HG1      THR  21 -15.884  -9.214  -0.446
  210   1HG2  THR  21          1HG2      THR  21 -15.180  -8.877  -4.371
  211   2HG2  THR  21          2HG2      THR  21 -16.340  -9.975  -3.624
  212   3HG2  THR  21          3HG2      THR  21 -16.719  -8.259  -3.771
  213    MG   THR  21           MG       THR  21 -16.080  -9.037  -3.922
  214    H    TYR  22           H        TYR  22 -11.714  -9.554  -3.669
  215    HA   TYR  22           HA       TYR  22 -12.807 -12.194  -4.453
  216   1HB   TYR  22          1HB       TYR  22 -11.007 -12.248  -6.077
  217   2HB   TYR  22          2HB       TYR  22 -11.776 -10.661  -6.153
  218    HD1  TYR  22           HD1      TYR  22  -8.873 -12.517  -4.737
  219    HD2  TYR  22           HD2      TYR  22 -10.566  -8.677  -5.652
  220    HE1  TYR  22           HE1      TYR  22  -6.704 -11.435  -4.210
  221    HE2  TYR  22           HE2      TYR  22  -8.398  -7.595  -5.125
  222    HH   TYR  22           HH       TYR  22  -5.967  -9.079  -3.440
  223    QB   TYR  22           QB       TYR  22 -11.392 -11.455  -6.115
  224    QD   TYR  22           QD       TYR  22  -9.719 -10.597  -5.194
  225    QE   TYR  22           QE       TYR  22  -7.551  -9.515  -4.667
  226    QR   TYR  22           QR       TYR  22  -8.635 -10.056  -4.931
  227    H    ALA  23           H        ALA  23 -10.501 -10.850  -2.214
  228    HA   ALA  23           HA       ALA  23  -8.653 -12.950  -1.997
  229   1HB   ALA  23          2HB       ALA  23  -9.791 -11.560   0.421
  230   2HB   ALA  23          1HB       ALA  23  -8.727 -10.716  -0.704
  231   3HB   ALA  23          3HB       ALA  23  -8.143 -12.132   0.170
  232    MB   ALA  23           MB       ALA  23  -8.887 -11.469  -0.038
  233    H    ASP  24           H        ASP  24 -11.929 -12.712  -0.955
  234    HA   ASP  24           HA       ASP  24 -11.864 -15.136   0.688
  235   1HB   ASP  24          1HB       ASP  24 -13.734 -12.985   0.146
  236   2HB   ASP  24          2HB       ASP  24 -14.536 -14.554   0.055
  237    QB   ASP  24           QB       ASP  24 -14.135 -13.769   0.100
  238    H    VAL  25           H        VAL  25 -14.030 -14.422  -2.058
  239    HA   VAL  25           HA       VAL  25 -14.820 -16.935  -2.780
  240    HB   VAL  25           HB       VAL  25 -13.946 -14.665  -4.581
  241   1HG1  VAL  25          1HG1      VAL  25 -14.904 -17.411  -5.235
  242   2HG1  VAL  25          2HG1      VAL  25 -15.593 -16.077  -6.160
  243   3HG1  VAL  25          3HG1      VAL  25 -13.849 -16.339  -6.158
  244   1HG2  VAL  25          1HG2      VAL  25 -16.579 -15.696  -3.506
  245   2HG2  VAL  25          2HG2      VAL  25 -15.871 -14.094  -3.291
  246   3HG2  VAL  25          3HG2      VAL  25 -16.492 -14.579  -4.869
  247    MG1  VAL  25           MG1      VAL  25 -14.782 -16.609  -5.851
  248    MG2  VAL  25           MG2      VAL  25 -16.314 -14.789  -3.889
  249    QG   VAL  25           QG       VAL  25 -15.548 -15.699  -4.870
  250    H    ARG  26           H        ARG  26 -11.728 -15.477  -3.763
  251    HA   ARG  26           HA       ARG  26 -10.765 -17.833  -5.154
  252   1HB   ARG  26          2HB       ARG  26  -8.676 -16.657  -5.266
  253   2HB   ARG  26          1HB       ARG  26  -9.072 -15.664  -3.862
  254   1HG   ARG  26          1HG       ARG  26 -11.183 -15.253  -5.670
  255   2HG   ARG  26          2HG       ARG  26  -9.878 -14.124  -5.302
  256   1HD   ARG  26          1HD       ARG  26  -8.916 -14.452  -7.315
  257   2HD   ARG  26          2HD       ARG  26  -8.996 -16.204  -7.137
  258    HE   ARG  26           HE       ARG  26 -11.341 -14.599  -8.074
  259   1HH1  ARG  26          1HH1      ARG  26 -10.755 -17.715  -7.385
  260   2HH1  ARG  26          2HH1      ARG  26 -10.934 -18.345  -8.988
  261   1HH2  ARG  26          1HH2      ARG  26 -10.915 -15.226 -10.501
  262   2HH2  ARG  26          2HH2      ARG  26 -11.028 -16.936 -10.752
  263    QB   ARG  26           QB       ARG  26  -8.874 -16.160  -4.564
  264    QG   ARG  26           QG       ARG  26 -10.531 -14.689  -5.486
  265    QD   ARG  26           QD       ARG  26  -8.956 -15.328  -7.226
  266    QH1  ARG  26           QH1      ARG  26 -10.845 -18.030  -8.187
  267    QH2  ARG  26           QH2      ARG  26 -10.971 -16.081 -10.627
  268    H    ASP  27           H        ASP  27 -10.020 -16.614  -1.788
  269    HA   ASP  27           HA       ASP  27  -8.277 -18.661  -0.950
  270   1HB   ASP  27          1HB       ASP  27  -9.591 -16.779   0.448
  271   2HB   ASP  27          2HB       ASP  27 -10.675 -18.126   0.800
  272    QB   ASP  27           QB       ASP  27 -10.133 -17.453   0.624
  273    H    GLU  28           H        GLU  28 -11.611 -18.927  -1.897
  274    HA   GLU  28           HA       GLU  28 -12.017 -21.578  -1.042
  275   1HB   GLU  28          1HB       GLU  28 -13.783 -19.917  -2.014
  276   2HB   GLU  28          2HB       GLU  28 -13.166 -20.440  -3.582
  277   1HG   GLU  28          2HG       GLU  28 -13.522 -22.854  -2.524
  278   2HG   GLU  28          1HG       GLU  28 -14.856 -21.994  -3.290
  279    QB   GLU  28           QB       GLU  28 -13.475 -20.179  -2.798
  280    QG   GLU  28           QG       GLU  28 -14.189 -22.424  -2.907
  281    H    ILE  29           H        ILE  29 -10.084 -22.514  -1.429
  282    HA   ILE  29           HA       ILE  29  -8.762 -24.036  -2.799
  283    HB   ILE  29           HB       ILE  29  -9.531 -22.158  -5.080
  284   1HG1  ILE  29          1HG1      ILE  29 -11.552 -23.321  -4.455
  285   2HG1  ILE  29          2HG1      ILE  29 -10.895 -24.218  -5.822
  286   1HG2  ILE  29          1HG2      ILE  29  -7.861 -24.643  -4.790
  287   2HG2  ILE  29          2HG2      ILE  29  -8.758 -24.412  -6.290
  288   3HG2  ILE  29          3HG2      ILE  29  -7.576 -23.210  -5.777
  289   1HD1  ILE  29          1HD1      ILE  29  -9.758 -25.740  -4.149
  290   2HD1  ILE  29          2HD1      ILE  29 -10.685 -24.928  -2.887
  291   3HD1  ILE  29          3HD1      ILE  29 -11.518 -25.833  -4.151
  292    MG   ILE  29           MG       ILE  29  -8.065 -24.088  -5.619
  293    MD   ILE  29           MD       ILE  29 -10.654 -25.501  -3.729
  294    QG   ILE  29           QG       ILE  29 -11.224 -23.770  -5.139
  295    H    ASN  30           H        ASN  30  -7.568 -22.437  -1.130
  296    HA   ASN  30           HA       ASN  30  -6.248 -20.496  -0.766
  297   1HB   ASN  30          1HB       ASN  30  -4.008 -21.035  -1.912
  298   2HB   ASN  30          2HB       ASN  30  -4.643 -22.124  -0.680
  299   2HD2  ASN  30          1HD2      ASN  30  -3.612 -21.942  -3.972
  300   1HD2  ASN  30          2HD2      ASN  30  -4.116 -23.491  -4.449
  301    QB   ASN  30           QB       ASN  30  -4.325 -21.579  -1.296
  302    QD   ASN  30           QD       ASN  30  -3.864 -22.716  -4.210
  303    H    LYS  31           H        LYS  31  -8.044 -19.671  -2.573
  304    HA   LYS  31           HA       LYS  31  -8.059 -17.629  -3.831
  305   1HB   LYS  31          1HB       LYS  31  -5.213 -18.304  -4.425
  306   2HB   LYS  31          2HB       LYS  31  -6.090 -17.188  -5.445
  307   1HG   LYS  31          2HG       LYS  31  -6.804 -16.185  -3.065
  308   2HG   LYS  31          1HG       LYS  31  -5.344 -15.671  -3.908
  309   1HD   LYS  31          1HD       LYS  31  -5.360 -17.961  -1.931
  310   2HD   LYS  31          2HD       LYS  31  -3.964 -17.102  -2.581
  311   1HE   LYS  31          1HE       LYS  31  -4.176 -15.396  -1.100
  312   2HE   LYS  31          2HE       LYS  31  -5.932 -15.358  -1.260
  313   1HZ   LYS  31          1HZ       LYS  31  -4.390 -17.355   0.307
  314   2HZ   LYS  31          2HZ       LYS  31  -5.246 -16.040   0.959
  315   3HZ   LYS  31          3HZ       LYS  31  -6.079 -17.291   0.168
  316    QB   LYS  31           QB       LYS  31  -5.652 -17.746  -4.935
  317    QD   LYS  31           QD       LYS  31  -4.662 -17.531  -2.256
  318    QG   LYS  31           QG       LYS  31  -6.074 -15.928  -3.487
  319    QE   LYS  31           QE       LYS  31  -5.054 -15.377  -1.180
  320    QZ   LYS  31           QZ       LYS  31  -5.238 -16.895   0.478
  321    H    ARG  32           H        ARG  32  -9.078 -20.363  -4.657
  322    HA   ARG  32           HA       ARG  32  -9.229 -19.663  -7.530
  323   1HB   ARG  32          1HB       ARG  32  -7.400 -21.596  -6.719
  324   2HB   ARG  32          2HB       ARG  32  -8.798 -22.533  -7.251
  325   1HG   ARG  32          1HG       ARG  32  -8.833 -21.304  -9.379
  326   2HG   ARG  32          2HG       ARG  32  -7.453 -20.340  -8.855
  327   1HD   ARG  32          1HD       ARG  32  -6.645 -22.990  -8.459
  328   2HD   ARG  32          2HD       ARG  32  -7.497 -23.010 -10.003
  329    HE   ARG  32           HE       ARG  32  -5.629 -20.791  -9.801
  330   1HH1  ARG  32          1HH1      ARG  32  -6.124 -24.111 -10.609
  331   2HH1  ARG  32          2HH1      ARG  32  -4.699 -24.220 -11.583
  332   1HH2  ARG  32          1HH2      ARG  32  -3.724 -20.946 -11.007
  333   2HH2  ARG  32          2HH2      ARG  32  -3.341 -22.433 -11.806
  334    QB   ARG  32           QB       ARG  32  -8.099 -22.064  -6.985
  335    QG   ARG  32           QG       ARG  32  -8.143 -20.822  -9.117
  336    QD   ARG  32           QD       ARG  32  -7.071 -23.000  -9.231
  337    QH1  ARG  32           QH1      ARG  32  -5.412 -24.166 -11.096
  338    QH2  ARG  32           QH2      ARG  32  -3.532 -21.689 -11.407
  339    H    GLY  33           H        GLY  33 -11.422 -19.206  -6.445
  340   1HA   GLY  33          1HA       GLY  33 -13.039 -21.599  -5.874
  341   2HA   GLY  33          2HA       GLY  33 -13.607 -19.928  -5.823
  342    QA   GLY  33           QA       GLY  33 -13.323 -20.764  -5.849
  343    H    ARG  34           H        ARG  34 -13.522 -22.782  -7.698
  344    HA   ARG  34           HA       ARG  34 -13.745 -21.679 -10.322
  345   1HB   ARG  34          2HB       ARG  34 -13.537 -24.199  -9.395
  346   2HB   ARG  34          1HB       ARG  34 -14.140 -23.835 -11.010
  347   1HG   ARG  34          1HG       ARG  34 -16.469 -23.873 -10.117
  348   2HG   ARG  34          2HG       ARG  34 -15.645 -25.419  -9.913
  349   1HD   ARG  34          1HD       ARG  34 -15.240 -23.577  -7.661
  350   2HD   ARG  34          2HD       ARG  34 -16.926 -24.031  -7.903
  351    HE   ARG  34           HE       ARG  34 -14.740 -26.047  -7.561
  352   1HH1  ARG  34          1HH1      ARG  34 -17.475 -24.604  -6.212
  353   2HH1  ARG  34          2HH1      ARG  34 -18.227 -26.087  -5.728
  354   1HH2  ARG  34          1HH2      ARG  34 -15.905 -28.097  -7.337
  355   2HH2  ARG  34          2HH2      ARG  34 -17.338 -28.063  -6.364
  356    QB   ARG  34           QB       ARG  34 -13.838 -24.017 -10.203
  357    QG   ARG  34           QG       ARG  34 -16.057 -24.646 -10.015
  358    QD   ARG  34           QD       ARG  34 -16.083 -23.804  -7.782
  359    QH1  ARG  34           QH1      ARG  34 -17.851 -25.345  -5.970
  360    QH2  ARG  34           QH2      ARG  34 -16.622 -28.080  -6.851

  No H/Q in entry =         360
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -9.852  -0.081  14.918
    2    H2   MET   1           H2       MET   1 -10.662  -1.068  13.801
    3    H3   MET   1           H3       MET   1  -9.309  -0.164  13.310
    4    HA   MET   1           HA       MET   1 -11.253   0.934  12.506
    5   1HB   MET   1          1HB       MET   1 -12.677  -0.172  14.360
    6   2HB   MET   1          2HB       MET   1 -12.187   1.192  15.365
    7   1HG   MET   1          2HG       MET   1 -12.938   2.492  13.093
    8   2HG   MET   1          1HG       MET   1 -14.018   2.201  14.456
    9   1HE   MET   1          1HE       MET   1 -15.780   1.019  14.620
   10   2HE   MET   1          2HE       MET   1 -16.507   1.821  13.229
   11   3HE   MET   1          3HE       MET   1 -16.645   0.067  13.416
   12    QB   MET   1           QB       MET   1 -12.432   0.510  14.862
   13    QG   MET   1           QG       MET   1 -13.478   2.347  13.774
   14    ME   MET   1           ME       MET   1 -16.311   0.969  13.755
   15    H    SER   2           H        SER   2 -10.390   2.885  12.012
   16    HA   SER   2           HA       SER   2  -9.051   4.425  14.195
   17   1HB   SER   2          1HB       SER   2  -8.693   4.570  11.187
   18   2HB   SER   2          2HB       SER   2  -7.852   5.588  12.352
   19    HG   SER   2           HG       SER   2  -6.554   3.990  12.751
   20    QB   SER   2           QB       SER   2  -8.272   5.079  11.770
   21    H    TRP   3           H        TRP   3 -10.466   5.394  11.061
   22    HA   TRP   3           HA       TRP   3 -12.440   7.079  12.491
   23   1HB   TRP   3          1HB       TRP   3 -10.024   8.075  11.160
   24   2HB   TRP   3          2HB       TRP   3 -11.500   8.807  10.532
   25    HD1  TRP   3           HD1      TRP   3  -9.148   8.948  13.399
   26    HE1  TRP   3           HE1      TRP   3 -10.048  10.541  15.215
   27    HE3  TRP   3           HE3      TRP   3 -13.922   9.613  11.707
   28    HZ2  TRP   3           HZ2      TRP   3 -12.471  11.913  15.865
   29    HZ3  TRP   3           HZ3      TRP   3 -15.502  11.068  12.942
   30    HH2  TRP   3           HH2      TRP   3 -14.784  12.218  15.017
   31    QB   TRP   3           QB       TRP   3 -10.762   8.441  10.846
   32    H    ALA   4           H        ALA   4 -13.379   8.518  10.304
   33    HA   ALA   4           HA       ALA   4 -14.458   6.319   8.614
   34   1HB   ALA   4          3HB       ALA   4 -16.297   7.502   9.389
   35   2HB   ALA   4          2HB       ALA   4 -15.981   8.375   7.889
   36   3HB   ALA   4          1HB       ALA   4 -15.423   9.035   9.427
   37    MB   ALA   4           MB       ALA   4 -15.900   8.304   8.902
   38    H    LEU   5           H        LEU   5 -14.131   9.747   7.769
   39    HA   LEU   5           HA       LEU   5 -13.297   9.195   5.096
   40   1HB   LEU   5          1HB       LEU   5 -12.563  11.621   5.109
   41   2HB   LEU   5          2HB       LEU   5 -14.233  11.360   5.611
   42    HG   LEU   5           HG       LEU   5 -12.879  11.121   7.994
   43   1HD1  LEU   5          1HD1      LEU   5 -10.777  11.852   6.924
   44   2HD1  LEU   5          2HD1      LEU   5 -11.573  13.324   6.368
   45   3HD1  LEU   5          3HD1      LEU   5 -11.338  13.046   8.093
   46   1HD2  LEU   5          1HD2      LEU   5 -14.944  12.533   7.150
   47   2HD2  LEU   5          2HD2      LEU   5 -14.062  13.045   8.589
   48   3HD2  LEU   5          3HD2      LEU   5 -13.756  13.832   7.040
   49    MD1  LEU   5           MD1      LEU   5 -11.229  12.741   7.128
   50    MD2  LEU   5           MD2      LEU   5 -14.254  13.137   7.593
   51    QB   LEU   5           QB       LEU   5 -13.398  11.490   5.360
   52    QD   LEU   5           QD       LEU   5 -12.742  12.939   7.360
   53    H    GLU   6           H        GLU   6 -11.512   9.625   8.095
   54    HA   GLU   6           HA       GLU   6  -8.904   9.992   7.026
   55   1HB   GLU   6          1HB       GLU   6  -9.981   9.755   9.555
   56   2HB   GLU   6          2HB       GLU   6  -9.036   8.273   9.408
   57   1HG   GLU   6          1HG       GLU   6  -7.116   9.735   8.577
   58   2HG   GLU   6          2HG       GLU   6  -8.068  11.122   9.111
   59    QB   GLU   6           QB       GLU   6  -9.508   9.014   9.482
   60    QG   GLU   6           QG       GLU   6  -7.592  10.429   8.844
   61    H    MET   7           H        MET   7 -10.614   6.981   7.914
   62    HA   MET   7           HA       MET   7  -8.506   5.230   7.049
   63   1HB   MET   7          1HB       MET   7 -11.141   4.979   8.151
   64   2HB   MET   7          2HB       MET   7 -11.028   3.939   6.731
   65   1HG   MET   7          1HG       MET   7  -8.897   3.002   7.639
   66   2HG   MET   7          2HG       MET   7  -9.134   3.964   9.098
   67   1HE   MET   7          1HE       MET   7  -9.198   0.994   7.529
   68   2HE   MET   7          2HE       MET   7 -10.318  -0.105   8.328
   69   3HE   MET   7          3HE       MET   7 -10.857   0.866   6.951
   70    QB   MET   7           QB       MET   7 -11.084   4.459   7.441
   71    QG   MET   7           QG       MET   7  -9.015   3.483   8.368
   72    ME   MET   7           ME       MET   7 -10.125   0.585   7.602
   73    H    ALA   8           H        ALA   8 -11.491   6.353   5.444
   74    HA   ALA   8           HA       ALA   8 -11.243   4.931   3.032
   75   1HB   ALA   8          1HB       ALA   8 -13.143   6.480   3.757
   76   2HB   ALA   8          3HB       ALA   8 -12.685   6.567   2.056
   77   3HB   ALA   8          2HB       ALA   8 -12.145   7.815   3.180
   78    MB   ALA   8           MB       ALA   8 -12.658   6.954   2.998
   79    H    ASP   9           H        ASP   9  -9.496   7.782   4.142
   80    HA   ASP   9           HA       ASP   9  -8.366   8.482   1.587
   81   1HB   ASP   9          1HB       ASP   9  -7.224   8.991   4.351
   82   2HB   ASP   9          2HB       ASP   9  -6.817   9.860   2.870
   83    QB   ASP   9           QB       ASP   9  -7.021   9.425   3.610
   84    H    THR  10           H        THR  10  -6.461   7.283   4.359
   85    HA   THR  10           HA       THR  10  -4.256   6.355   2.972
   86    HB   THR  10           HB       THR  10  -4.236   6.233   5.365
   87    HG1  THR  10           HG1      THR  10  -4.386   3.548   4.487
   88   1HG2  THR  10          1HG2      THR  10  -6.755   5.798   5.468
   89   2HG2  THR  10          2HG2      THR  10  -6.364   4.092   5.254
   90   3HG2  THR  10          3HG2      THR  10  -5.772   4.962   6.668
   91    MG   THR  10           MG       THR  10  -6.297   4.950   5.797
   92    H    PHE  11           H        PHE  11  -7.447   4.933   3.054
   93    HA   PHE  11           HA       PHE  11  -6.684   2.341   2.027
   94   1HB   PHE  11          1HB       PHE  11  -9.020   3.476   2.997
   95   2HB   PHE  11          2HB       PHE  11  -9.363   3.260   1.280
   96    HD1  PHE  11           HD1      PHE  11  -8.171   1.491   4.339
   97    HD2  PHE  11           HD2      PHE  11  -9.761   1.106   0.367
   98    HE1  PHE  11           HE1      PHE  11  -8.507  -0.938   4.709
   99    HE2  PHE  11           HE2      PHE  11 -10.097  -1.324   0.737
  100    HZ   PHE  11           HZ       PHE  11  -9.470  -2.345   2.909
  101    QB   PHE  11           QB       PHE  11  -9.191   3.368   2.139
  102    QD   PHE  11           QD       PHE  11  -8.966   1.299   2.353
  103    QE   PHE  11           QE       PHE  11  -9.302  -1.131   2.723
  104    QR   PHE  11           QR       PHE  11  -9.201  -0.402   2.612
  105    H    LEU  12           H        LEU  12  -8.094   5.237   0.462
  106    HA   LEU  12           HA       LEU  12  -7.939   4.163  -2.196
  107   1HB   LEU  12          1HB       LEU  12  -8.807   6.587  -0.970
  108   2HB   LEU  12          2HB       LEU  12  -7.666   7.016  -2.246
  109    HG   LEU  12           HG       LEU  12  -8.930   5.624  -3.847
  110   1HD1  LEU  12          1HD1      LEU  12  -9.834   4.244  -1.729
  111   2HD1  LEU  12          2HD1      LEU  12 -11.193   5.351  -1.924
  112   3HD1  LEU  12          3HD1      LEU  12 -10.716   4.297  -3.255
  113   1HD2  LEU  12          1HD2      LEU  12  -9.561   8.105  -3.050
  114   2HD2  LEU  12          2HD2      LEU  12 -10.527   7.242  -4.247
  115   3HD2  LEU  12          3HD2      LEU  12 -11.049   7.292  -2.563
  116    MD1  LEU  12           MD1      LEU  12 -10.581   4.631  -2.303
  117    MD2  LEU  12           MD2      LEU  12 -10.379   7.546  -3.287
  118    QB   LEU  12           QB       LEU  12  -8.236   6.802  -1.608
  119    QD   LEU  12           QD       LEU  12 -10.480   6.089  -2.795
  120    H    ASP  13           H        ASP  13  -5.544   5.320  -0.049
  121    HA   ASP  13           HA       ASP  13  -3.660   6.406  -1.920
  122   1HB   ASP  13          1HB       ASP  13  -3.721   6.059   0.818
  123   2HB   ASP  13          2HB       ASP  13  -2.503   4.884   0.322
  124    QB   ASP  13           QB       ASP  13  -3.112   5.472   0.570
  125    H    ASN  14           H        ASN  14  -3.932   3.153  -0.495
  126    HA   ASN  14           HA       ASN  14  -2.451   2.104  -2.872
  127   1HB   ASN  14          1HB       ASN  14  -2.580   0.837  -0.124
  128   2HB   ASN  14          2HB       ASN  14  -1.535   0.372  -1.468
  129   2HD2  ASN  14          1HD2      ASN  14  -1.068   1.633   1.396
  130   1HD2  ASN  14          2HD2      ASN  14   0.036   2.880   1.072
  131    QB   ASN  14           QB       ASN  14  -2.057   0.605  -0.796
  132    QD   ASN  14           QD       ASN  14  -0.516   2.256   1.234
  133    H    MET  15           H        MET  15  -5.001   1.337  -0.473
  134    HA   MET  15           HA       MET  15  -6.988   0.125  -0.767
  135   1HB   MET  15          1HB       MET  15  -6.564   1.315  -3.209
  136   2HB   MET  15          2HB       MET  15  -6.666  -0.393  -3.633
  137   1HG   MET  15          1HG       MET  15  -8.906  -0.305  -3.393
  138   2HG   MET  15          2HG       MET  15  -8.691   0.124  -1.698
  139   1HE   MET  15          1HE       MET  15  -7.589   1.432  -4.855
  140   2HE   MET  15          2HE       MET  15  -8.898   2.481  -5.414
  141   3HE   MET  15          3HE       MET  15  -7.524   3.166  -4.551
  142    QB   MET  15           QB       MET  15  -6.615   0.461  -3.421
  143    QG   MET  15           QG       MET  15  -8.799  -0.091  -2.545
  144    ME   MET  15           ME       MET  15  -8.004   2.360  -4.940
  145    H    ARG  16           H        ARG  16  -3.992  -1.018  -1.000
  146    HA   ARG  16           HA       ARG  16  -3.021  -3.161  -1.326
  147   1HB   ARG  16          1HB       ARG  16  -4.702  -3.015   0.862
  148   2HB   ARG  16          2HB       ARG  16  -5.263  -4.473   0.041
  149   1HG   ARG  16          1HG       ARG  16  -2.386  -3.881   0.801
  150   2HG   ARG  16          2HG       ARG  16  -3.458  -5.000   1.643
  151   1HD   ARG  16          1HD       ARG  16  -3.692  -6.319  -0.450
  152   2HD   ARG  16          2HD       ARG  16  -2.561  -5.226  -1.247
  153    HE   ARG  16           HE       ARG  16  -1.461  -6.379   1.188
  154   1HH1  ARG  16          1HH1      ARG  16  -2.581  -8.416  -0.979
  155   2HH1  ARG  16          2HH1      ARG  16  -1.083  -8.853  -1.732
  156   1HH2  ARG  16          1HH2      ARG  16   0.707  -6.256  -0.292
  157   2HH2  ARG  16          2HH2      ARG  16   0.778  -7.631  -1.341
  158    QB   ARG  16           QB       ARG  16  -4.983  -3.744   0.452
  159    QG   ARG  16           QG       ARG  16  -2.922  -4.441   1.222
  160    QD   ARG  16           QD       ARG  16  -3.127  -5.773  -0.848
  161    QH1  ARG  16           QH1      ARG  16  -1.832  -8.634  -1.356
  162    QH2  ARG  16           QH2      ARG  16   0.742  -6.944  -0.816
  163    H    VAL  17           H        VAL  17  -4.868  -2.389  -3.484
  164    HA   VAL  17           HA       VAL  17  -4.915  -4.552  -5.122
  165    HB   VAL  17           HB       VAL  17  -6.120  -5.983  -3.652
  166   1HG1  VAL  17          1HG1      VAL  17  -7.993  -3.630  -3.293
  167   2HG1  VAL  17          2HG1      VAL  17  -8.380  -5.262  -2.755
  168   3HG1  VAL  17          3HG1      VAL  17  -7.004  -4.411  -2.060
  169   1HG2  VAL  17          1HG2      VAL  17  -6.968  -5.593  -6.132
  170   2HG2  VAL  17          2HG2      VAL  17  -7.859  -6.645  -5.033
  171   3HG2  VAL  17          3HG2      VAL  17  -8.407  -4.991  -5.311
  172    MG1  VAL  17           MG1      VAL  17  -7.792  -4.434  -2.703
  173    MG2  VAL  17           MG2      VAL  17  -7.745  -5.743  -5.492
  174    QG   VAL  17           QG       VAL  17  -7.768  -5.089  -4.098
  175    H    GLY  18           H        GLY  18  -7.187  -2.113  -3.921
  176   1HA   GLY  18          1HA       GLY  18  -8.319  -0.427  -5.123
  177   2HA   GLY  18          2HA       GLY  18  -7.189  -0.723  -6.444
  178    QA   GLY  18           QA       GLY  18  -7.754  -0.575  -5.783
  179   1HB   PRO  19          1HB       PRO  19 -11.423  -0.811 -10.079
  180   2HB   PRO  19          2HB       PRO  19 -12.045  -0.255  -8.516
  181   1HG   PRO  19          2HG       PRO  19 -10.531   1.473  -8.768
  182   2HG   PRO  19          1HG       PRO  19  -9.567   0.574  -9.951
  183   1HD   PRO  19          1HD       PRO  19  -8.083   0.136  -8.253
  184   2HD   PRO  19          2HD       PRO  19  -9.206   0.776  -7.033
  185    QB   PRO  19           QB       PRO  19 -11.734  -0.533  -9.297
  186    QG   PRO  19           QG       PRO  19 -10.049   1.023  -9.359
  187    QD   PRO  19           QD       PRO  19  -8.645   0.456  -7.643
  188    H    ARG  20           H        ARG  20 -11.744  -3.112 -10.235
  189    HA   ARG  20           HA       ARG  20  -9.447  -4.821 -10.907
  190   1HB   ARG  20          1HB       ARG  20 -12.260  -5.029 -11.147
  191   2HB   ARG  20          2HB       ARG  20 -11.624  -5.011 -12.793
  192   1HG   ARG  20          1HG       ARG  20 -10.002  -6.667 -11.024
  193   2HG   ARG  20          2HG       ARG  20 -11.679  -7.212 -11.081
  194   1HD   ARG  20          1HD       ARG  20 -11.605  -7.287 -13.526
  195   2HD   ARG  20          2HD       ARG  20  -9.958  -6.658 -13.515
  196    HE   ARG  20           HE       ARG  20 -10.332  -9.148 -12.002
  197   1HH1  ARG  20          1HH1      ARG  20  -7.680  -8.743 -12.933
  198   2HH1  ARG  20          2HH1      ARG  20  -7.599  -9.582 -14.446
  199   1HH2  ARG  20          1HH2      ARG  20 -11.042  -9.749 -14.842
  200   2HH2  ARG  20          2HH2      ARG  20  -9.502 -10.151 -15.528
  201    QB   ARG  20           QB       ARG  20 -11.942  -5.020 -11.970
  202    QG   ARG  20           QG       ARG  20 -10.840  -6.939 -11.053
  203    QD   ARG  20           QD       ARG  20 -10.781  -6.972 -13.521
  204    QH1  ARG  20           QH1      ARG  20  -7.640  -9.163 -13.690
  205    QH2  ARG  20           QH2      ARG  20 -10.272  -9.950 -15.185
  206    H    THR  21           H        THR  21 -11.628  -3.007 -13.081
  207    HA   THR  21           HA       THR  21  -9.188  -2.141 -14.580
  208    HB   THR  21           HB       THR  21 -10.629  -2.094 -16.590
  209    HG1  THR  21           HG1      THR  21 -12.569  -3.085 -14.774
  210   1HG2  THR  21          1HG2      THR  21 -10.225  -4.544 -14.955
  211   2HG2  THR  21          2HG2      THR  21 -11.289  -4.689 -16.354
  212   3HG2  THR  21          3HG2      THR  21  -9.622  -4.153 -16.565
  213    MG   THR  21           MG       THR  21 -10.379  -4.462 -15.958
  214    H    TYR  22           H        TYR  22 -11.134  -0.375 -16.189
  215    HA   TYR  22           HA       TYR  22 -12.373   1.505 -14.471
  216   1HB   TYR  22          1HB       TYR  22  -9.588   1.587 -14.201
  217   2HB   TYR  22          2HB       TYR  22  -9.974   2.953 -15.249
  218    HD1  TYR  22           HD1      TYR  22 -11.754   4.604 -14.513
  219    HD2  TYR  22           HD2      TYR  22 -10.111   1.632 -11.884
  220    HE1  TYR  22           HE1      TYR  22 -12.596   5.870 -12.556
  221    HE2  TYR  22           HE2      TYR  22 -10.954   2.899  -9.925
  222    HH   TYR  22           HH       TYR  22 -12.471   4.545  -9.318
  223    QB   TYR  22           QB       TYR  22  -9.781   2.270 -14.725
  224    QD   TYR  22           QD       TYR  22 -10.933   3.118 -13.198
  225    QE   TYR  22           QE       TYR  22 -11.775   4.385 -11.241
  226    QR   TYR  22           QR       TYR  22 -11.354   3.751 -12.220
  227    H    ALA  23           H        ALA  23 -10.218   1.480 -17.352
  228    HA   ALA  23           HA       ALA  23 -11.603   3.595 -18.677
  229   1HB   ALA  23          3HB       ALA  23  -9.668   3.303 -19.829
  230   2HB   ALA  23          2HB       ALA  23 -10.589   2.104 -20.737
  231   3HB   ALA  23          1HB       ALA  23  -9.570   1.597 -19.389
  232    MB   ALA  23           MB       ALA  23  -9.942   2.335 -19.985
  233    H    ASP  24           H        ASP  24 -11.831   0.117 -19.056
  234    HA   ASP  24           HA       ASP  24 -14.074   0.253 -20.888
  235   1HB   ASP  24          1HB       ASP  24 -12.529  -1.876 -19.522
  236   2HB   ASP  24          2HB       ASP  24 -14.198  -2.282 -19.917
  237    QB   ASP  24           QB       ASP  24 -13.363  -2.079 -19.720
  238    H    VAL  25           H        VAL  25 -13.867  -0.935 -17.508
  239    HA   VAL  25           HA       VAL  25 -16.580  -1.291 -16.999
  240    HB   VAL  25           HB       VAL  25 -15.970  -0.515 -14.605
  241   1HG1  VAL  25          1HG1      VAL  25 -14.394  -2.684 -16.024
  242   2HG1  VAL  25          2HG1      VAL  25 -14.549  -2.544 -14.274
  243   3HG1  VAL  25          3HG1      VAL  25 -15.974  -2.865 -15.262
  244   1HG2  VAL  25          1HG2      VAL  25 -13.707   0.437 -16.098
  245   2HG2  VAL  25          2HG2      VAL  25 -14.038   0.617 -14.376
  246   3HG2  VAL  25          3HG2      VAL  25 -13.160  -0.794 -14.961
  247    MG1  VAL  25           MG1      VAL  25 -14.972  -2.698 -15.187
  248    MG2  VAL  25           MG2      VAL  25 -13.635   0.086 -15.145
  249    QG   VAL  25           QG       VAL  25 -14.304  -1.306 -15.166
  250    H    ARG  26           H        ARG  26 -14.764   1.757 -16.946
  251    HA   ARG  26           HA       ARG  26 -16.991   3.343 -16.003
  252   1HB   ARG  26          1HB       ARG  26 -14.704   4.147 -15.732
  253   2HB   ARG  26          2HB       ARG  26 -14.465   4.137 -17.480
  254   1HG   ARG  26          2HG       ARG  26 -16.322   5.793 -17.702
  255   2HG   ARG  26          1HG       ARG  26 -14.964   6.412 -16.761
  256   1HD   ARG  26          1HD       ARG  26 -17.081   6.949 -15.639
  257   2HD   ARG  26          2HD       ARG  26 -17.534   5.244 -15.643
  258    HE   ARG  26           HE       ARG  26 -15.033   5.429 -14.339
  259   1HH1  ARG  26          1HH1      ARG  26 -18.231   5.004 -13.667
  260   2HH1  ARG  26          2HH1      ARG  26 -18.206   5.710 -12.084
  261   1HH2  ARG  26          1HH2      ARG  26 -15.007   7.007 -12.426
  262   2HH2  ARG  26          2HH2      ARG  26 -16.381   6.845 -11.383
  263    QB   ARG  26           QB       ARG  26 -14.585   4.142 -16.606
  264    QG   ARG  26           QG       ARG  26 -15.643   6.102 -17.231
  265    QD   ARG  26           QD       ARG  26 -17.308   6.097 -15.641
  266    QH1  ARG  26           QH1      ARG  26 -18.218   5.357 -12.875
  267    QH2  ARG  26           QH2      ARG  26 -15.694   6.926 -11.904
  268    H    ASP  27           H        ASP  27 -15.599   2.763 -19.245
  269    HA   ASP  27           HA       ASP  27 -17.466   4.447 -20.634
  270   1HB   ASP  27          1HB       ASP  27 -15.400   2.488 -21.331
  271   2HB   ASP  27          2HB       ASP  27 -16.769   2.465 -22.445
  272    QB   ASP  27           QB       ASP  27 -16.084   2.477 -21.888
  273    H    GLU  28           H        GLU  28 -17.825   1.361 -19.168
  274    HA   GLU  28           HA       GLU  28 -19.960   0.400 -20.878
  275   1HB   GLU  28          2HB       GLU  28 -20.365  -1.242 -19.108
  276   2HB   GLU  28          1HB       GLU  28 -19.378  -0.309 -17.981
  277   1HG   GLU  28          1HG       GLU  28 -17.796  -0.722 -20.298
  278   2HG   GLU  28          2HG       GLU  28 -17.569  -1.440 -18.702
  279    QB   GLU  28           QB       GLU  28 -19.872  -0.776 -18.545
  280    QG   GLU  28           QG       GLU  28 -17.682  -1.081 -19.500
  281    H    ILE  29           H        ILE  29 -19.758   2.454 -18.015
  282    HA   ILE  29           HA       ILE  29 -22.647   2.487 -17.641
  283    HB   ILE  29           HB       ILE  29 -20.875   2.990 -15.851
  284   1HG1  ILE  29          1HG1      ILE  29 -22.654   5.304 -15.707
  285   2HG1  ILE  29          2HG1      ILE  29 -23.510   3.837 -16.180
  286   1HG2  ILE  29          1HG2      ILE  29 -20.161   4.953 -17.724
  287   2HG2  ILE  29          2HG2      ILE  29 -20.946   5.841 -16.417
  288   3HG2  ILE  29          3HG2      ILE  29 -19.558   4.808 -16.073
  289   1HD1  ILE  29          1HD1      ILE  29 -22.241   2.704 -14.231
  290   2HD1  ILE  29          2HD1      ILE  29 -21.904   4.345 -13.679
  291   3HD1  ILE  29          3HD1      ILE  29 -23.571   3.787 -13.819
  292    MG   ILE  29           MG       ILE  29 -20.222   5.201 -16.738
  293    MD   ILE  29           MD       ILE  29 -22.572   3.612 -13.910
  294    QG   ILE  29           QG       ILE  29 -23.082   4.571 -15.944
  295    H    ASN  30           H        ASN  30 -21.339   3.342 -20.277
  296    HA   ASN  30           HA       ASN  30 -22.553   6.033 -20.521
  297   1HB   ASN  30          1HB       ASN  30 -20.422   4.566 -22.060
  298   2HB   ASN  30          2HB       ASN  30 -21.309   5.892 -22.815
  299   2HD2  ASN  30          1HD2      ASN  30 -18.633   6.372 -22.473
  300   1HD2  ASN  30          2HD2      ASN  30 -18.363   7.436 -21.178
  301    QB   ASN  30           QB       ASN  30 -20.865   5.229 -22.437
  302    QD   ASN  30           QD       ASN  30 -18.498   6.904 -21.826
  303    H    LYS  31           H        LYS  31 -22.155   3.147 -22.626
  304    HA   LYS  31           HA       LYS  31 -24.934   3.653 -23.588
  305   1HB   LYS  31          1HB       LYS  31 -22.554   3.183 -24.985
  306   2HB   LYS  31          2HB       LYS  31 -23.450   1.667 -25.100
  307   1HG   LYS  31          1HG       LYS  31 -25.486   3.252 -25.635
  308   2HG   LYS  31          2HG       LYS  31 -24.220   4.399 -26.075
  309   1HD   LYS  31          1HD       LYS  31 -23.760   3.295 -27.988
  310   2HD   LYS  31          2HD       LYS  31 -23.701   1.740 -27.156
  311   1HE   LYS  31          1HE       LYS  31 -26.386   2.985 -27.524
  312   2HE   LYS  31          2HE       LYS  31 -25.606   2.311 -28.956
  313   1HZ   LYS  31          1HZ       LYS  31 -25.211   0.269 -27.552
  314   2HZ   LYS  31          2HZ       LYS  31 -26.310   0.929 -26.436
  315   3HZ   LYS  31          3HZ       LYS  31 -26.821   0.563 -28.012
  316    QB   LYS  31           QB       LYS  31 -23.002   2.425 -25.042
  317    QD   LYS  31           QD       LYS  31 -23.731   2.517 -27.572
  318    QG   LYS  31           QG       LYS  31 -24.853   3.826 -25.855
  319    QE   LYS  31           QE       LYS  31 -25.996   2.648 -28.240
  320    QZ   LYS  31           QZ       LYS  31 -26.114   0.587 -27.333
  321    H    ARG  32           H        ARG  32 -23.677   1.906 -21.197
  322    HA   ARG  32           HA       ARG  32 -25.076  -0.625 -21.922
  323   1HB   ARG  32          1HB       ARG  32 -22.645  -0.470 -20.911
  324   2HB   ARG  32          2HB       ARG  32 -23.509  -0.269 -19.385
  325   1HG   ARG  32          1HG       ARG  32 -24.597  -2.375 -19.604
  326   2HG   ARG  32          2HG       ARG  32 -24.146  -2.516 -21.303
  327   1HD   ARG  32          1HD       ARG  32 -21.827  -2.830 -20.744
  328   2HD   ARG  32          2HD       ARG  32 -22.123  -2.422 -19.054
  329    HE   ARG  32           HE       ARG  32 -22.718  -4.999 -20.336
  330   1HH1  ARG  32          1HH1      ARG  32 -22.038  -3.425 -17.480
  331   2HH1  ARG  32          2HH1      ARG  32 -23.084  -4.379 -16.484
  332   1HH2  ARG  32          1HH2      ARG  32 -24.595  -5.993 -19.156
  333   2HH2  ARG  32          2HH2      ARG  32 -24.532  -5.832 -17.432
  334    QB   ARG  32           QB       ARG  32 -23.077  -0.370 -20.148
  335    QG   ARG  32           QG       ARG  32 -24.372  -2.446 -20.453
  336    QD   ARG  32           QD       ARG  32 -21.975  -2.626 -19.899
  337    QH1  ARG  32           QH1      ARG  32 -22.561  -3.902 -16.982
  338    QH2  ARG  32           QH2      ARG  32 -24.563  -5.913 -18.294
  339    H    GLY  33           H        GLY  33 -27.150   0.619 -21.635
  340   1HA   GLY  33          1HA       GLY  33 -29.062   1.095 -20.362
  341   2HA   GLY  33          2HA       GLY  33 -28.386   0.006 -19.149
  342    QA   GLY  33           QA       GLY  33 -28.724   0.551 -19.755
  343    H    ARG  34           H        ARG  34 -27.680   0.903 -17.265
  344    HA   ARG  34           HA       ARG  34 -28.171   3.601 -16.598
  345   1HB   ARG  34          1HB       ARG  34 -26.052   1.839 -15.335
  346   2HB   ARG  34          2HB       ARG  34 -26.902   3.189 -14.581
  347   1HG   ARG  34          1HG       ARG  34 -29.003   1.647 -15.404
  348   2HG   ARG  34          2HG       ARG  34 -27.804   0.410 -15.028
  349   1HD   ARG  34          1HD       ARG  34 -27.441   1.589 -12.809
  350   2HD   ARG  34          2HD       ARG  34 -28.852   2.577 -13.191
  351    HE   ARG  34           HE       ARG  34 -30.233   0.576 -13.039
  352   1HH1  ARG  34          1HH1      ARG  34 -27.165  -0.650 -13.398
  353   2HH1  ARG  34          2HH1      ARG  34 -27.262  -1.793 -12.101
  354   1HH2  ARG  34          1HH2      ARG  34 -30.259  -0.551 -10.879
  355   2HH2  ARG  34          2HH2      ARG  34 -29.013  -1.738 -10.675
  356    QB   ARG  34           QB       ARG  34 -26.477   2.514 -14.958
  357    QG   ARG  34           QG       ARG  34 -28.403   1.028 -15.216
  358    QD   ARG  34           QD       ARG  34 -28.146   2.083 -13.000
  359    QH1  ARG  34           QH1      ARG  34 -27.213  -1.222 -12.750
  360    QH2  ARG  34           QH2      ARG  34 -29.636  -1.145 -10.777

  No H/Q in entry =         360
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -5.282  10.966  -1.290
    2    H2   MET   1           H2       MET   1  -4.086  10.224  -2.240
    3    H3   MET   1           H3       MET   1  -3.662  10.970  -0.778
    4    HA   MET   1           HA       MET   1  -3.009  12.502  -2.389
    5   1HB   MET   1          1HB       MET   1  -4.871  11.174  -3.963
    6   2HB   MET   1          2HB       MET   1  -5.571  12.782  -3.781
    7   1HG   MET   1          1HG       MET   1  -3.943  13.764  -5.028
    8   2HG   MET   1          2HG       MET   1  -2.669  12.781  -4.307
    9   1HE   MET   1          1HE       MET   1  -5.785  12.770  -6.184
   10   2HE   MET   1          2HE       MET   1  -4.968  12.997  -7.737
   11   3HE   MET   1          3HE       MET   1  -5.732  11.457  -7.356
   12    QB   MET   1           QB       MET   1  -5.221  11.978  -3.872
   13    QG   MET   1           QG       MET   1  -3.306  13.272  -4.667
   14    ME   MET   1           ME       MET   1  -5.495  12.408  -7.092
   15    H    SER   2           H        SER   2  -5.032  12.314   0.046
   16    HA   SER   2           HA       SER   2  -5.629  15.231  -0.021
   17   1HB   SER   2          1HB       SER   2  -7.810  14.625  -0.344
   18   2HB   SER   2          2HB       SER   2  -7.546  12.986   0.242
   19    HG   SER   2           HG       SER   2  -7.577  15.298   1.890
   20    QB   SER   2           QB       SER   2  -7.678  13.806  -0.051
   21    H    TRP   3           H        TRP   3  -6.372  12.642   2.323
   22    HA   TRP   3           HA       TRP   3  -4.213  13.048   4.091
   23   1HB   TRP   3          1HB       TRP   3  -5.413  15.409   4.064
   24   2HB   TRP   3          2HB       TRP   3  -6.508  14.636   5.196
   25    HD1  TRP   3           HD1      TRP   3  -5.321  13.495   7.409
   26    HE1  TRP   3           HE1      TRP   3  -3.271  14.309   8.745
   27    HE3  TRP   3           HE3      TRP   3  -3.215  16.627   3.969
   28    HZ2  TRP   3           HZ2      TRP   3  -1.037  16.059   8.399
   29    HZ3  TRP   3           HZ3      TRP   3  -1.129  17.855   4.500
   30    HH2  TRP   3           HH2      TRP   3  -0.038  17.575   6.708
   31    QB   TRP   3           QB       TRP   3  -5.960  15.023   4.630
   32    H    ALA   4           H        ALA   4  -7.578  13.287   5.260
   33    HA   ALA   4           HA       ALA   4  -7.224  10.618   6.546
   34   1HB   ALA   4          1HB       ALA   4  -8.106  12.929   7.589
   35   2HB   ALA   4          2HB       ALA   4  -9.644  12.278   7.023
   36   3HB   ALA   4          3HB       ALA   4  -8.659  11.354   8.157
   37    MB   ALA   4           MB       ALA   4  -8.803  12.187   7.590
   38    H    LEU   5           H        LEU   5  -9.786  12.262   4.473
   39    HA   LEU   5           HA       LEU   5 -11.666  11.143   3.478
   40   1HB   LEU   5          1HB       LEU   5  -9.231   9.790   2.621
   41   2HB   LEU   5          2HB       LEU   5 -10.605   8.704   2.666
   42    HG   LEU   5           HG       LEU   5 -11.898  10.312   1.298
   43   1HD1  LEU   5          1HD1      LEU   5 -10.585  12.320   2.123
   44   2HD1  LEU   5          2HD1      LEU   5  -9.287  11.827   1.035
   45   3HD1  LEU   5          3HD1      LEU   5 -10.859  12.283   0.381
   46   1HD2  LEU   5          1HD2      LEU   5  -9.232   9.310   0.297
   47   2HD2  LEU   5          2HD2      LEU   5 -10.839   8.649  -0.008
   48   3HD2  LEU   5          3HD2      LEU   5 -10.343  10.156  -0.778
   49    MD1  LEU   5           MD1      LEU   5 -10.244  12.143   1.180
   50    MD2  LEU   5           MD2      LEU   5 -10.138   9.372  -0.163
   51    QB   LEU   5           QB       LEU   5  -9.918   9.247   2.644
   52    QD   LEU   5           QD       LEU   5 -10.191  10.757   0.508
   53    H    GLU   6           H        GLU   6 -11.127  11.033   6.168
   54    HA   GLU   6           HA       GLU   6 -11.650   9.994   8.087
   55   1HB   GLU   6          1HB       GLU   6 -13.839   9.703   6.587
   56   2HB   GLU   6          2HB       GLU   6 -13.417   8.000   6.775
   57   1HG   GLU   6          1HG       GLU   6 -13.276   9.577   9.266
   58   2HG   GLU   6          2HG       GLU   6 -14.897   9.423   8.586
   59    QB   GLU   6           QB       GLU   6 -13.628   8.851   6.681
   60    QG   GLU   6           QG       GLU   6 -14.086   9.500   8.926
   61    H    MET   7           H        MET   7  -9.292   9.197   7.309
   62    HA   MET   7           HA       MET   7  -7.742   7.492   7.487
   63   1HB   MET   7          1HB       MET   7  -8.231   6.654   9.501
   64   2HB   MET   7          2HB       MET   7  -9.965   6.751   9.215
   65   1HG   MET   7          1HG       MET   7  -8.326   4.600   7.885
   66   2HG   MET   7          2HG       MET   7  -8.877   4.394   9.547
   67   1HE   MET   7          1HE       MET   7  -9.404   2.411   8.205
   68   2HE   MET   7          2HE       MET   7 -11.053   2.173   8.800
   69   3HE   MET   7          3HE       MET   7 -10.733   2.205   7.068
   70    QB   MET   7           QB       MET   7  -9.098   6.703   9.358
   71    QG   MET   7           QG       MET   7  -8.601   4.497   8.716
   72    ME   MET   7           ME       MET   7 -10.397   2.263   8.024
   73    H    ALA   8           H        ALA   8 -10.593   7.316   5.737
   74    HA   ALA   8           HA       ALA   8 -10.265   4.770   4.389
   75   1HB   ALA   8          1HB       ALA   8 -12.332   6.502   4.406
   76   2HB   ALA   8          2HB       ALA   8 -11.476   7.162   3.014
   77   3HB   ALA   8          3HB       ALA   8 -12.022   5.491   2.997
   78    MB   ALA   8           MB       ALA   8 -11.944   6.385   3.472
   79    H    ASP   9           H        ASP   9  -9.284   8.103   4.094
   80    HA   ASP   9           HA       ASP   9  -8.030   8.410   1.695
   81   1HB   ASP   9          1HB       ASP   9  -7.790  10.127   3.365
   82   2HB   ASP   9          2HB       ASP   9  -7.049   9.008   4.505
   83    QB   ASP   9           QB       ASP   9  -7.420   9.568   3.935
   84    H    THR  10           H        THR  10  -6.498   6.714   4.474
   85    HA   THR  10           HA       THR  10  -4.158   5.868   3.126
   86    HB   THR  10           HB       THR  10  -5.596   4.278   5.264
   87    HG1  THR  10           HG1      THR  10  -4.948   5.715   6.677
   88   1HG2  THR  10          1HG2      THR  10  -2.700   4.565   4.426
   89   2HG2  THR  10          2HG2      THR  10  -3.218   3.742   5.897
   90   3HG2  THR  10          3HG2      THR  10  -3.700   3.116   4.320
   91    MG   THR  10           MG       THR  10  -3.206   3.808   4.881
   92    H    PHE  11           H        PHE  11  -7.158   3.975   3.671
   93    HA   PHE  11           HA       PHE  11  -6.455   1.680   2.228
   94   1HB   PHE  11          1HB       PHE  11  -9.005   3.035   2.918
   95   2HB   PHE  11          2HB       PHE  11  -9.082   1.858   1.606
   96    HD1  PHE  11           HD1      PHE  11  -7.269   2.114   4.892
   97    HD2  PHE  11           HD2      PHE  11  -9.720  -0.263   2.286
   98    HE1  PHE  11           HE1      PHE  11  -7.225   0.261   6.540
   99    HE2  PHE  11           HE2      PHE  11  -9.675  -2.116   3.932
  100    HZ   PHE  11           HZ       PHE  11  -8.427  -1.854   6.059
  101    QB   PHE  11           QB       PHE  11  -9.043   2.447   2.262
  102    QD   PHE  11           QD       PHE  11  -8.495   0.926   3.589
  103    QE   PHE  11           QE       PHE  11  -8.450  -0.928   5.236
  104    QR   PHE  11           QR       PHE  11  -8.463  -0.372   4.742
  105    H    LEU  12           H        LEU  12  -8.421   4.344   0.876
  106    HA   LEU  12           HA       LEU  12  -8.499   3.611  -1.775
  107   1HB   LEU  12          1HB       LEU  12  -9.602   5.624  -0.983
  108   2HB   LEU  12          2HB       LEU  12  -8.047   6.389  -0.651
  109    HG   LEU  12           HG       LEU  12  -7.481   6.410  -3.001
  110   1HD1  LEU  12          1HD1      LEU  12 -10.048   4.831  -3.328
  111   2HD1  LEU  12          2HD1      LEU  12  -9.155   5.541  -4.673
  112   3HD1  LEU  12          3HD1      LEU  12  -8.411   4.282  -3.688
  113   1HD2  LEU  12          1HD2      LEU  12  -9.835   7.685  -1.926
  114   2HD2  LEU  12          2HD2      LEU  12  -8.687   8.310  -3.112
  115   3HD2  LEU  12          3HD2      LEU  12 -10.074   7.359  -3.643
  116    MD1  LEU  12           MD1      LEU  12  -9.204   4.885  -3.896
  117    MD2  LEU  12           MD2      LEU  12  -9.532   7.785  -2.894
  118    QB   LEU  12           QB       LEU  12  -8.824   6.006  -0.817
  119    QD   LEU  12           QD       LEU  12  -9.368   6.335  -3.395
  120    H    ASP  13           H        ASP  13  -5.792   5.389  -0.235
  121    HA   ASP  13           HA       ASP  13  -4.235   5.569  -2.637
  122   1HB   ASP  13          1HB       ASP  13  -3.914   6.868  -0.450
  123   2HB   ASP  13          2HB       ASP  13  -3.078   5.436   0.150
  124    QB   ASP  13           QB       ASP  13  -3.496   6.152  -0.150
  125    H    ASN  14           H        ASN  14  -4.442   3.072  -0.136
  126    HA   ASN  14           HA       ASN  14  -2.188   1.570  -1.225
  127   1HB   ASN  14          1HB       ASN  14  -4.066   1.310   1.048
  128   2HB   ASN  14          2HB       ASN  14  -3.491  -0.214   0.367
  129   2HD2  ASN  14          1HD2      ASN  14  -0.954  -0.153  -0.077
  130   1HD2  ASN  14          2HD2      ASN  14  -0.017   0.533   1.163
  131    QB   ASN  14           QB       ASN  14  -3.779   0.548   0.708
  132    QD   ASN  14           QD       ASN  14  -0.486   0.190   0.543
  133    H    MET  15           H        MET  15  -5.138   2.111  -2.499
  134    HA   MET  15           HA       MET  15  -5.545  -0.707  -3.387
  135   1HB   MET  15          1HB       MET  15  -7.289   1.709  -3.201
  136   2HB   MET  15          2HB       MET  15  -7.626   0.559  -4.496
  137   1HG   MET  15          1HG       MET  15  -7.889  -1.251  -2.935
  138   2HG   MET  15          2HG       MET  15  -7.288  -0.263  -1.603
  139   1HE   MET  15          1HE       MET  15  -8.657  -0.452  -0.107
  140   2HE   MET  15          2HE       MET  15 -10.127   0.492   0.119
  141   3HE   MET  15          3HE       MET  15 -10.224  -1.176  -0.462
  142    QB   MET  15           QB       MET  15  -7.458   1.134  -3.848
  143    QG   MET  15           QG       MET  15  -7.589  -0.757  -2.269
  144    ME   MET  15           ME       MET  15  -9.670  -0.379  -0.150
  145    H    ARG  16           H        ARG  16  -3.325   0.057  -4.530
  146    HA   ARG  16           HA       ARG  16  -3.864   1.466  -7.062
  147   1HB   ARG  16          1HB       ARG  16  -1.616   1.216  -5.433
  148   2HB   ARG  16          2HB       ARG  16  -1.242   0.206  -6.829
  149   1HG   ARG  16          2HG       ARG  16  -2.429   2.529  -7.887
  150   2HG   ARG  16          1HG       ARG  16  -0.724   2.081  -7.961
  151   1HD   ARG  16          1HD       ARG  16  -1.964   3.512  -5.596
  152   2HD   ARG  16          2HD       ARG  16  -0.248   3.266  -5.920
  153    HE   ARG  16           HE       ARG  16  -2.015   5.093  -7.495
  154   1HH1  ARG  16          1HH1      ARG  16   0.627   3.894  -8.624
  155   2HH1  ARG  16          2HH1      ARG  16   1.699   5.227  -8.353
  156   1HH2  ARG  16          1HH2      ARG  16  -0.448   6.856  -6.175
  157   2HH2  ARG  16          2HH2      ARG  16   1.094   6.900  -6.964
  158    QB   ARG  16           QB       ARG  16  -1.429   0.711  -6.131
  159    QG   ARG  16           QG       ARG  16  -1.577   2.305  -7.924
  160    QD   ARG  16           QD       ARG  16  -1.106   3.389  -5.758
  161    QH1  ARG  16           QH1      ARG  16   1.163   4.561  -8.489
  162    QH2  ARG  16           QH2      ARG  16   0.323   6.878  -6.569
  163    H    VAL  17           H        VAL  17  -3.759  -1.721  -5.852
  164    HA   VAL  17           HA       VAL  17  -3.592  -2.813  -8.631
  165    HB   VAL  17           HB       VAL  17  -2.916  -4.918  -7.650
  166   1HG1  VAL  17          1HG1      VAL  17  -1.176  -3.155  -7.900
  167   2HG1  VAL  17          2HG1      VAL  17  -1.481  -2.648  -6.239
  168   3HG1  VAL  17          3HG1      VAL  17  -0.825  -4.252  -6.565
  169   1HG2  VAL  17          1HG2      VAL  17  -4.462  -4.608  -5.631
  170   2HG2  VAL  17          2HG2      VAL  17  -2.891  -5.336  -5.294
  171   3HG2  VAL  17          3HG2      VAL  17  -3.172  -3.636  -4.920
  172    MG1  VAL  17           MG1      VAL  17  -1.160  -3.352  -6.901
  173    MG2  VAL  17           MG2      VAL  17  -3.508  -4.527  -5.282
  174    QG   VAL  17           QG       VAL  17  -2.334  -3.939  -6.091
  175    H    GLY  18           H        GLY  18  -5.956  -1.674  -6.970
  176   1HA   GLY  18          1HA       GLY  18  -7.691  -3.988  -6.580
  177   2HA   GLY  18          2HA       GLY  18  -8.181  -2.296  -6.478
  178    QA   GLY  18           QA       GLY  18  -7.936  -3.142  -6.529
  179   1HB   PRO  19          1HB       PRO  19 -12.449  -3.179  -9.925
  180   2HB   PRO  19          2HB       PRO  19 -11.790  -4.752  -9.442
  181   1HG   PRO  19          2HG       PRO  19 -12.333  -4.078  -7.300
  182   2HG   PRO  19          1HG       PRO  19 -12.385  -2.367  -7.755
  183   1HD   PRO  19          1HD       PRO  19 -10.307  -2.160  -6.796
  184   2HD   PRO  19          2HD       PRO  19 -10.142  -3.923  -6.640
  185    QB   PRO  19           QB       PRO  19 -12.119  -3.966  -9.683
  186    QG   PRO  19           QG       PRO  19 -12.359  -3.222  -7.527
  187    QD   PRO  19           QD       PRO  19 -10.224  -3.042  -6.718
  188    H    ARG  20           H        ARG  20 -10.586  -0.926  -8.711
  189    HA   ARG  20           HA       ARG  20  -9.716   0.709 -10.910
  190   1HB   ARG  20          1HB       ARG  20 -11.956  -0.200 -11.749
  191   2HB   ARG  20          2HB       ARG  20 -12.709   0.756 -10.471
  192   1HG   ARG  20          2HG       ARG  20 -11.128   2.655 -11.523
  193   2HG   ARG  20          1HG       ARG  20 -12.752   2.338 -12.138
  194   1HD   ARG  20          1HD       ARG  20 -10.116   1.344 -13.247
  195   2HD   ARG  20          2HD       ARG  20 -11.669   0.671 -13.741
  196    HE   ARG  20           HE       ARG  20 -10.790   3.476 -14.246
  197   1HH1  ARG  20          1HH1      ARG  20 -13.654   1.826 -14.015
  198   2HH1  ARG  20          2HH1      ARG  20 -14.161   2.080 -15.652
  199   1HH2  ARG  20          1HH2      ARG  20 -11.110   3.373 -16.673
  200   2HH2  ARG  20          2HH2      ARG  20 -12.720   2.956 -17.156
  201    QB   ARG  20           QB       ARG  20 -12.332   0.278 -11.110
  202    QG   ARG  20           QG       ARG  20 -11.940   2.497 -11.831
  203    QD   ARG  20           QD       ARG  20 -10.892   1.008 -13.494
  204    QH1  ARG  20           QH1      ARG  20 -13.908   1.953 -14.833
  205    QH2  ARG  20           QH2      ARG  20 -11.915   3.164 -16.915
  206    H    THR  21           H        THR  21 -12.012   0.618  -8.171
  207    HA   THR  21           HA       THR  21 -12.450   2.278  -6.542
  208    HB   THR  21           HB       THR  21 -10.708   1.465  -5.280
  209    HG1  THR  21           HG1      THR  21 -10.407   3.455  -4.634
  210   1HG2  THR  21          1HG2      THR  21  -9.510   0.626  -7.328
  211   2HG2  THR  21          2HG2      THR  21  -8.738   2.206  -7.457
  212   3HG2  THR  21          3HG2      THR  21  -8.434   1.189  -6.050
  213    MG   THR  21           MG       THR  21  -8.894   1.341  -6.945
  214    H    TYR  22           H        TYR  22 -13.358   3.994  -7.740
  215    HA   TYR  22           HA       TYR  22 -12.120   6.500  -7.636
  216   1HB   TYR  22          1HB       TYR  22 -10.940   4.946  -9.665
  217   2HB   TYR  22          2HB       TYR  22 -11.986   6.099 -10.497
  218    HD1  TYR  22           HD1      TYR  22 -11.898   8.572  -9.522
  219    HD2  TYR  22           HD2      TYR  22  -8.792   5.641  -9.069
  220    HE1  TYR  22           HE1      TYR  22 -10.255  10.381  -9.103
  221    HE2  TYR  22           HE2      TYR  22  -7.147   7.452  -8.648
  222    HH   TYR  22           HH       TYR  22  -7.930  10.796  -9.151
  223    QB   TYR  22           QB       TYR  22 -11.463   5.523 -10.081
  224    QD   TYR  22           QD       TYR  22 -10.345   7.106  -9.295
  225    QE   TYR  22           QE       TYR  22  -8.701   8.916  -8.875
  226    QR   TYR  22           QR       TYR  22  -9.523   8.011  -9.085
  227    H    ALA  23           H        ALA  23 -14.184   4.557  -9.845
  228    HA   ALA  23           HA       ALA  23 -15.754   6.657 -10.836
  229   1HB   ALA  23          3HB       ALA  23 -17.088   5.028 -11.707
  230   2HB   ALA  23          2HB       ALA  23 -17.236   4.196 -10.159
  231   3HB   ALA  23          1HB       ALA  23 -15.794   3.966 -11.149
  232    MB   ALA  23           MB       ALA  23 -16.706   4.397 -11.005
  233    H    ASP  24           H        ASP  24 -16.138   4.890  -7.844
  234    HA   ASP  24           HA       ASP  24 -18.583   6.225  -7.066
  235   1HB   ASP  24          1HB       ASP  24 -17.436   3.969  -6.212
  236   2HB   ASP  24          2HB       ASP  24 -16.771   5.064  -4.999
  237    QB   ASP  24           QB       ASP  24 -17.103   4.517  -5.606
  238    H    VAL  25           H        VAL  25 -15.445   6.370  -5.348
  239    HA   VAL  25           HA       VAL  25 -15.865   8.603  -3.799
  240    HB   VAL  25           HB       VAL  25 -13.371   7.790  -5.305
  241   1HG1  VAL  25          1HG1      VAL  25 -13.932  10.279  -3.941
  242   2HG1  VAL  25          2HG1      VAL  25 -12.679   9.384  -3.082
  243   3HG1  VAL  25          3HG1      VAL  25 -12.465   9.785  -4.785
  244   1HG2  VAL  25          1HG2      VAL  25 -14.680   7.095  -2.771
  245   2HG2  VAL  25          2HG2      VAL  25 -13.430   6.226  -3.663
  246   3HG2  VAL  25          3HG2      VAL  25 -12.985   7.539  -2.573
  247    MG1  VAL  25           MG1      VAL  25 -13.025   9.816  -3.936
  248    MG2  VAL  25           MG2      VAL  25 -13.698   6.954  -3.002
  249    QG   VAL  25           QG       VAL  25 -13.362   8.385  -3.469
  250    H    ARG  26           H        ARG  26 -14.872   8.655  -7.214
  251    HA   ARG  26           HA       ARG  26 -14.763  11.524  -7.410
  252   1HB   ARG  26          1HB       ARG  26 -13.615  10.156  -9.055
  253   2HB   ARG  26          2HB       ARG  26 -15.129   9.383  -9.526
  254   1HG   ARG  26          1HG       ARG  26 -15.985  11.413 -10.455
  255   2HG   ARG  26          2HG       ARG  26 -14.692  12.367  -9.731
  256   1HD   ARG  26          1HD       ARG  26 -13.374  10.402 -11.231
  257   2HD   ARG  26          2HD       ARG  26 -14.710  10.931 -12.254
  258    HE   ARG  26           HE       ARG  26 -13.768  13.153 -12.268
  259   1HH1  ARG  26          1HH1      ARG  26 -12.452  11.691  -9.556
  260   2HH1  ARG  26          2HH1      ARG  26 -10.844  12.291  -9.789
  261   1HH2  ARG  26          1HH2      ARG  26 -11.503  13.582 -12.942
  262   2HH2  ARG  26          2HH2      ARG  26 -10.307  13.364 -11.707
  263    QB   ARG  26           QB       ARG  26 -14.372   9.769  -9.291
  264    QG   ARG  26           QG       ARG  26 -15.339  11.890 -10.093
  265    QD   ARG  26           QD       ARG  26 -14.042  10.667 -11.742
  266    QH1  ARG  26           QH1      ARG  26 -11.648  11.991  -9.672
  267    QH2  ARG  26           QH2      ARG  26 -10.905  13.473 -12.325
  268    H    ASP  27           H        ASP  27 -17.320   9.134  -8.058
  269    HA   ASP  27           HA       ASP  27 -19.199  10.957  -9.203
  270   1HB   ASP  27          1HB       ASP  27 -19.410   8.460  -9.253
  271   2HB   ASP  27          2HB       ASP  27 -19.811   8.498  -7.535
  272    QB   ASP  27           QB       ASP  27 -19.611   8.479  -8.394
  273    H    GLU  28           H        GLU  28 -18.094  10.565  -5.959
  274    HA   GLU  28           HA       GLU  28 -20.419  11.554  -4.591
  275   1HB   GLU  28          1HB       GLU  28 -18.462  10.428  -3.481
  276   2HB   GLU  28          2HB       GLU  28 -17.521  11.892  -3.766
  277   1HG   GLU  28          1HG       GLU  28 -19.393  13.154  -2.556
  278   2HG   GLU  28          2HG       GLU  28 -19.980  11.572  -2.038
  279    QB   GLU  28           QB       GLU  28 -17.991  11.160  -3.623
  280    QG   GLU  28           QG       GLU  28 -19.687  12.363  -2.297
  281    H    ILE  29           H        ILE  29 -17.784  13.103  -6.328
  282    HA   ILE  29           HA       ILE  29 -18.252  15.745  -5.326
  283    HB   ILE  29           HB       ILE  29 -16.183  14.985  -6.534
  284   1HG1  ILE  29          1HG1      ILE  29 -16.857  17.264  -8.180
  285   2HG1  ILE  29          2HG1      ILE  29 -17.498  17.486  -6.551
  286   1HG2  ILE  29          1HG2      ILE  29 -18.023  14.206  -8.468
  287   2HG2  ILE  29          2HG2      ILE  29 -17.283  15.649  -9.160
  288   3HG2  ILE  29          3HG2      ILE  29 -16.274  14.284  -8.683
  289   1HD1  ILE  29          1HD1      ILE  29 -14.772  16.379  -6.615
  290   2HD1  ILE  29          2HD1      ILE  29 -14.900  18.004  -7.288
  291   3HD1  ILE  29          3HD1      ILE  29 -15.433  17.690  -5.636
  292    MG   ILE  29           MG       ILE  29 -17.193  14.713  -8.770
  293    MD   ILE  29           MD       ILE  29 -15.035  17.358  -6.513
  294    QG   ILE  29           QG       ILE  29 -17.177  17.375  -7.365
  295    H    ASN  30           H        ASN  30 -20.456  13.999  -6.873
  296    HA   ASN  30           HA       ASN  30 -21.442  16.126  -8.657
  297   1HB   ASN  30          1HB       ASN  30 -21.568  13.803  -9.466
  298   2HB   ASN  30          2HB       ASN  30 -22.548  13.366  -8.066
  299   2HD2  ASN  30          1HD2      ASN  30 -22.676  16.191 -10.312
  300   1HD2  ASN  30          2HD2      ASN  30 -24.312  15.987 -10.707
  301    QB   ASN  30           QB       ASN  30 -22.058  13.584  -8.766
  302    QD   ASN  30           QD       ASN  30 -23.494  16.089 -10.509
  303    H    LYS  31           H        LYS  31 -22.877  14.105  -6.069
  304    HA   LYS  31           HA       LYS  31 -24.974  16.044  -5.564
  305   1HB   LYS  31          1HB       LYS  31 -24.148  13.406  -4.497
  306   2HB   LYS  31          2HB       LYS  31 -24.984  14.455  -3.354
  307   1HG   LYS  31          1HG       LYS  31 -26.470  14.751  -5.676
  308   2HG   LYS  31          2HG       LYS  31 -26.039  13.040  -5.688
  309   1HD   LYS  31          1HD       LYS  31 -27.267  12.574  -3.813
  310   2HD   LYS  31          2HD       LYS  31 -26.930  14.142  -3.079
  311   1HE   LYS  31          1HE       LYS  31 -28.527  15.229  -4.571
  312   2HE   LYS  31          2HE       LYS  31 -28.813  13.706  -5.415
  313   1HZ   LYS  31          1HZ       LYS  31 -29.546  12.782  -3.239
  314   2HZ   LYS  31          2HZ       LYS  31 -29.459  14.349  -2.590
  315   3HZ   LYS  31          3HZ       LYS  31 -30.551  14.006  -3.846
  316    QB   LYS  31           QB       LYS  31 -24.566  13.930  -3.925
  317    QD   LYS  31           QD       LYS  31 -27.099  13.358  -3.446
  318    QG   LYS  31           QG       LYS  31 -26.255  13.896  -5.682
  319    QE   LYS  31           QE       LYS  31 -28.670  14.467  -4.993
  320    QZ   LYS  31           QZ       LYS  31 -29.852  13.712  -3.225
  321    H    ARG  32           H        ARG  32 -21.728  15.551  -4.366
  322    HA   ARG  32           HA       ARG  32 -22.219  17.245  -1.996
  323   1HB   ARG  32          2HB       ARG  32 -20.621  15.238  -2.041
  324   2HB   ARG  32          1HB       ARG  32 -19.995  16.726  -1.334
  325   1HG   ARG  32          2HG       ARG  32 -19.562  16.626  -4.217
  326   2HG   ARG  32          1HG       ARG  32 -18.813  15.259  -3.392
  327   1HD   ARG  32          1HD       ARG  32 -18.317  17.566  -1.807
  328   2HD   ARG  32          2HD       ARG  32 -17.148  16.615  -2.720
  329    HE   ARG  32           HE       ARG  32 -18.246  18.234  -4.649
  330   1HH1  ARG  32          1HH1      ARG  32 -18.415  19.662  -1.736
  331   2HH1  ARG  32          2HH1      ARG  32 -17.177  20.846  -1.988
  332   1HH2  ARG  32          1HH2      ARG  32 -15.991  19.373  -4.896
  333   2HH2  ARG  32          2HH2      ARG  32 -15.805  20.684  -3.777
  334    QB   ARG  32           QB       ARG  32 -20.308  15.982  -1.688
  335    QG   ARG  32           QG       ARG  32 -19.187  15.942  -3.805
  336    QD   ARG  32           QD       ARG  32 -17.732  17.090  -2.263
  337    QH1  ARG  32           QH1      ARG  32 -17.796  20.254  -1.862
  338    QH2  ARG  32           QH2      ARG  32 -15.898  20.028  -4.337
  339    H    GLY  33           H        GLY  33 -22.473  18.282  -4.820
  340   1HA   GLY  33          1HA       GLY  33 -20.620  20.595  -4.465
  341   2HA   GLY  33          2HA       GLY  33 -20.796  19.844  -6.052
  342    QA   GLY  33           QA       GLY  33 -20.708  20.219  -5.259
  343    H    ARG  34           H        ARG  34 -22.398  20.619  -7.352
  344    HA   ARG  34           HA       ARG  34 -24.988  21.392  -6.606
  345   1HB   ARG  34          1HB       ARG  34 -24.732  23.920  -6.701
  346   2HB   ARG  34          2HB       ARG  34 -24.102  23.159  -5.240
  347   1HG   ARG  34          1HG       ARG  34 -21.832  23.114  -6.360
  348   2HG   ARG  34          2HG       ARG  34 -22.522  24.111  -7.640
  349   1HD   ARG  34          1HD       ARG  34 -23.119  25.838  -5.997
  350   2HD   ARG  34          2HD       ARG  34 -22.469  24.839  -4.696
  351    HE   ARG  34           HE       ARG  34 -20.469  25.282  -6.726
  352   1HH1  ARG  34          1HH1      ARG  34 -19.404  25.416  -4.142
  353   2HH1  ARG  34          2HH1      ARG  34 -19.347  27.099  -3.734
  354   1HH2  ARG  34          1HH2      ARG  34 -21.597  28.041  -6.202
  355   2HH2  ARG  34          2HH2      ARG  34 -20.589  28.587  -4.905
  356    QB   ARG  34           QB       ARG  34 -24.417  23.539  -5.971
  357    QG   ARG  34           QG       ARG  34 -22.177  23.612  -7.000
  358    QD   ARG  34           QD       ARG  34 -22.794  25.339  -5.347
  359    QH1  ARG  34           QH1      ARG  34 -19.375  26.257  -3.938
  360    QH2  ARG  34           QH2      ARG  34 -21.093  28.314  -5.553

  No H/Q in entry =         360